SCHEMBL9800584

SCHEMBL9800584

COC(OC)(C(=O)c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.65
TDP1 Q9NUW8 2/20 0.48
CA2 P00918 1/20 0.47
ALDH1A1 P00352 6/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 2/20 0.45
CES2 O00748 2/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
MAPT P10636 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 2/20 0.41
NLRP1 Q9C000 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL18790460 0.92 CES1 (0.56) CES1TDP1CA2ALDH1A1GAA
SCHEMBL18790462 0.91 CES1 (0.80) CES1TDP1ALDH1A1LMNACES2
SCHEMBL31208574 0.85 CES1 (0.65) CES1ALDH1A1GAALMNARAB9A
SCHEMBL13268944 0.85 CES1 (0.65) CES1TDP1CA2ALDH1A1LMNA
SCHEMBL18790471 0.83 CES1 (0.62) CES1TDP1CA2ALDH1A1LMNA
SCHEMBL22309581 0.83 CES1 (0.62) CES1TDP1CA2ALDH1A1LMNA
SCHEMBL10816935 0.83 CES1 (0.62) CES1CA2ALDH1A1LMNACES2
SCHEMBL10299600 0.83 CES1 (0.62) CES1TDP1CA2ALDH1A1LMNA
SCHEMBL11492544 0.83 CES1 (0.62) CES1CA2ALDH1A1LMNACES2
SCHEMBL21784944 0.80 CES1 (0.59) CES1TDP1CA2ALDH1A1GAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11207245-B2 Composite for dental pattern resin GC CORPORATION (JP) 2021-12-28 US disclosed
EP-3365318-B1 BENZYL MONOKETALS AND USE THEREOF MERCK PATENT GMBH (DE) 2021-01-06 EP disclosed
US-20200093708-A1 COMPOSITE FOR DENTAL PATTERN RESIN GC CORPORATION (JP) 2020-03-26 US disclosed
US-20200093709-A1 POWDER FORMULATION FOR DENTAL COMPOSITE GC CORPORATION (JP) 2020-03-26 US disclosed
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed
WO-2017067634-A1 BENZIL MONOKETALAND USE THEREOF MERCK PATENT GMBH (DE) 2017-04-27 WO disclosed
EP-0269573-B1 LIQUID PHOTOINITIATING MIXTURE CIBA-GEIGY AG (CH) 1991-03-27 EP disclosed
US-4960746-A A-HYDROXY-OR A-AMINO-ACETOPHENONES AND A TITANOCENE COMPOUND SUBSTITUTED BY FLUORINE CIBA-GEIGY CORPORATION (US) 1990-10-02 US disclosed
EP-0100862-B1 2-ACYL-DIHYDRO-1,3-DIOXEPINES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHOTOINITIATORS CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
US-4485249-A 2-Acylated dihydro-1,3-dioxepins, process for the production thereof and use thereof as photo-initiators CIBA-GEIGY CORPORATION (US) 1984-11-27 US disclosed
US-4190602-A PHOTOCHEMICAL SENSITIZERS BY REACTION OF SULFUROUS ACID ESTER OR THIONYL CHLORIDE AND A PRIMARY ALCOHOL CIBA-GEIGY CORPORATION (US) 1980-02-26 US disclosed