SCHEMBL308169

SCHEMBL308169

O=CC(=O)C(=O)C(=O)C(C(=O)O)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
GAA P10253 1/20 0.44
POLB P06746 4/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
PKM P14618 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22129521 0.91 ALDH1A1 (0.46) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL29556386 0.80 ALDH1A1 (0.58) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL28860412 0.80 ALDH1A1 (0.58) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL11529767 0.72 ALDH1A1 (0.53) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL31723989 0.68 ALDH1A1 (0.57) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL29472125 0.66 LMNA (0.71) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL125972 0.66 LMNA (0.71) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL7399848 0.66 LMNA (0.71) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL11152460 0.66 ALDH1A1 (0.54) ALDH1A1GAAPOLBTP53HSD17B10
SCHEMBL478339 0.66 LMNA (0.71) ALDH1A1GAAPOLBTP53HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021315-A1 Water precipitation softening system for detergents, bleaching agents and machine and hand dishwashing agents HENKEL KOMMANDLTGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-25 US claimed
US-20040028624-A1 Chemically curing dental bleaching material KETTENBACH GMBH & CO. KG. 2004-02-12 US claimed
US-20020197214-A1 Chemically curing dental bleaching material KETTENBACH GMBH & CO. KG (DE) 2002-12-26 US claimed
US-11319515-B2 Heavy-duty laundry detergent wipe with controlled activation of the washing active substances Coin Consulting GmbH (DE) 2022-05-03 US disclosed
EP-2711413-B2 Washing agent and method for metering a washing agent MIELE & CIE (DE) 2022-04-13 EP disclosed
EP-3833732-A1 LIQUID BLEACH-PRECURSOR CONTAINING DETERGENT OR CLEANING AGENT Henkel AG & Co. KGaA (DE) 2021-06-16 EP disclosed
WO-2020030517-A1 LIQUID BLEACH-PRECURSOR CONTAINING DETERGENT OR CLEANING AGENT HENKEL AG & CO. KGAA (DE) 2020-02-13 WO disclosed
EP-3011002-B1 AGENT FOR REMOVING SPOTS AND DEPOSITS BUCK SERVICE GMBH (DE) 2020-01-08 EP disclosed
EP-3565880-A1 HEAVY-DUTY DETERGENT CLOTH WITH CONTROLLED ACTIVATION OF THE DETERGENT COMPONENTS Coin Consulting GmbH (DE) 2019-11-13 EP disclosed
EP-3158048-B1 HEAVY-DUTY DETERGENT SHEET WITH TEMPERATURE-DEPENDENT ACTIVATION OF THE DETERGENT SUBSTANCES COIN CONSULTING UG HAFTUNGSBESCHRAENKT (DE) 2018-03-28 EP disclosed
US-20170130176-A1 HEAVY-DUTY LAUNDRY DETERGENT WIPE WITH TEMPERATURE DEPENDENT ACTIVATION OF THE WASHING ACTIVE SUBSTANCES COIN CONSULTING UG (HAFTUNGSBESCHRÄNKT) (DE) 2017-05-11 US disclosed
US-7448556-B2 Dispenser bottle for at least two active fluids HENKEL KGAA (DE) 2008-11-11 US disclosed
US-20080105850-A1 Mixtures Of Bleaching Agents WEYLCHEM WIESBADEN GMBH (DE) 2008-05-08 US disclosed
US-20070021315-A1 Water precipitation softening system for detergents, bleaching agents and machine and hand dishwashing agents HENKEL KOMMANDLTGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-01-25 US disclosed
US-6986852-B2 Process for conditioning standing and flowing water systems BAYER AKTIENGESELLSCHAFT (DE) 2006-01-17 US disclosed
US-20050227896-A1 Multicomponent liquid detergent HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-10-13 US disclosed
US-20050139608-A1 Dispenser bottle for at least two active fluids HENKEL AG & CO. KGAA (DE) 2005-06-30 US disclosed
US-20040028624-A1 Chemically curing dental bleaching material KETTENBACH GMBH & CO. KG. 2004-02-12 US disclosed
US-20020197214-A1 Chemically curing dental bleaching material KETTENBACH GMBH & CO. KG (DE) 2002-12-26 US disclosed
US-20020125199-A1 Process for conditioning standing and flowing water systems LANXESS DEUTSCHLAND GMBH (DE) 2002-09-12 US disclosed