SCHEMBL301121

SCHEMBL301121

O=C(O)c1cccc(CCc2ccccc2)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.67
ALDH1A1 P00352 4/20 0.53
ADRB2 P07550 1/20 0.53
HTT P42858 1/20 0.51
PTPN1 P18031 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PTPN2 P17706 1/20 0.50
PTPN6 P29350 1/20 0.50
FOLH1 Q04609 1/20 0.49
HNF4A P41235 1/20 0.49
MAPT P10636 1/20 0.48
BID P55957 1/20 0.47
BCL2L1 Q07817 1/20 0.47
MCL1 Q07820 1/20 0.47
BAK1 Q16611 1/20 0.47
ALB P02768 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL11066129 0.90 HMGB1 (0.63) HMGB1ALDH1A1HTTPTPN1KDM4E
SCHEMBL29975597 0.85 FOLH1 (0.66) ALDH1A1ADRB2HTTKDM4ELMNA
SCHEMBL166927 0.85 FOLH1 (0.66) ALDH1A1ADRB2HTTKDM4ELMNA
SCHEMBL9769909 0.84 HMGB1 (0.56) HMGB1ALDH1A1HTTPTPN1KDM4E
SCHEMBL112902 0.84 PTPN1 (0.65) HMGB1ALDH1A1PTPN1KDM4ELMNA
SCHEMBL30612910 0.84 PTPN1 (0.65) HMGB1ALDH1A1PTPN1KDM4ELMNA
SCHEMBL8702953 0.83 FOLH1 (0.63) ALDH1A1ADRB2HTTKDM4ELMNA
Hydrochloric Acid SCHEMBL7699238 0.83 FOLH1 (0.63) ALDH1A1ADRB2HTTKDM4ELMNA
SCHEMBL9423904 0.82 HTR1A (0.48) ALDH1A1ADRB2HTTBIDBCL2L1
SCHEMBL6476062 0.82 KDM4E (0.52) HMGB1ALDH1A1ADRB2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233821-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES Henkel AG & Co. KGaA (DE) 2017-10-25 EP claimed
WO-2016096540-A1 ORTHOFORMIC ACID ESTERS AS PRO-FRAGRANCES HENKEL AG & CO. KGAA (DE) 2016-06-23 WO claimed
EP-1968531-B1 TOPICAL COMPOSITIONS FOR REDUCING SKIN IRRITATION GIVAUDAN SA (CH) 2014-12-31 EP claimed
WO-2014187576-A1 DEODORIZING ACTIVE INGREDIENT COMBINATION HENKEL AG & CO. KGAA (DE) 2014-11-27 WO claimed
EP-2142631-B1 METHODS FOR TREATING FABRIC IN A DRYER DIAL CORP (US) 2012-03-14 EP claimed
EP-1660621-B1 AGENTS THAT ARE ABSORBED BY THE SURFACE OF SUBSTRATES HENKEL AG & CO KGAA (DE) 2012-02-01 EP claimed
EP-1716159-B1 BICYCLIC SILOXANE COMPOSITIONS FOR THE RELEASE OF ACTIVE INGREDIENTS MOMENTIVE PERFORMANCE MAT INC (US) 2011-07-13 EP claimed
EP-2211829-B1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO KGAA (DE) 2011-04-27 EP claimed
EP-2211829-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS Henkel AG & Co. KGaA (DE) 2010-08-04 EP claimed
WO-2009059858-A1 IMPROVEMENT OF THE FRAGRANCE EFFECT OF PERFUME ESTERS HENKEL AG & CO. KGAA (DE) 2009-05-14 WO claimed
EP-1697386-B1 ACTIVE INGREDIENT-RELEASING CYCLIC SILOXANES GEN ELECTRIC (US) 2007-10-10 EP claimed
EP-1660621-A1 AGENTS THAT ARE ABSORBED BY THE SURFACE OF SUBSTRATES Henkel Kommanditgesellschaft auf Aktien (DE) 2006-05-31 EP claimed
EP-0982022-B1 Fragrance releasing non-volatile polymeric siloxanes GEN ELECTRIC (US) 2006-04-05 EP claimed
EP-0982313-B1 Fragrance releasing olefinic silanes GEN ELECTRIC (US) 2006-02-01 EP claimed
WO-2005019400-A1 AGENTS THAT ARE ABSORBED BY THE SURFACE OF SUBSTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2005-03-03 WO claimed
EP-0946699-B1 DRYER-ACTIVATED FABRIC CONDITIONING AND ANTISTATIC COMPOSITIONS WITH IMPROVED PERFUME LONGEVITY PROCTER & GAMBLE (US) 2003-10-15 EP claimed
EP-1056739-B1 NOVEL CYCLIC PRO-PERFUMES HAVING MODIFIABLE FRAGRANCE RAW MATERIAL ALCOHOL RELEASE RATE PROCTER & GAMBLE (US) 2003-05-02 EP claimed
EP-0918835-B1 RINSE ADDED FABRIC SOFTENING COMPOSITIONS AND METHOD OF USE FOR THE DELIVERY OF FRAGRANCE PRECURSORS PROCTER & GAMBLE (US) 2002-01-16 EP claimed
EP-3800176-A1 NOVEL POLYMERISABLE MONOMERS AND THEIR USE AS REACTIVE DILUENTS IN CURABLE COMPOSITIONS Align Technology, Inc. (US) 2021-04-07 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed