SCHEMBL8018642

SCHEMBL8018642

Cc1c(-c2ccccc2)cccc1C(OB(O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 7/20 0.41
PDCD1 Q15116 6/20 0.41
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
PTPN5 P54829 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSD11B1 P28845 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL5145264 0.86 ALDH1A1 (0.35) PPARGPPARAALDH1A1HPGDBCL2L1
Ammonia Solution, Strong SCHEMBL9771953 0.84 ALDH1A1 (0.34) ALDH1A1HPGDBCL2L1HSD17B10
Ammonia Solution, Strong SCHEMBL9771960 0.84 ALDH1A1 (0.34) ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL8023325 0.78 PTGDR2 (0.40) CNR1CNR2PTPN5ALDH1A1
SCHEMBL723986 0.73 KIF11 (0.40) ALDH1A1
Benzene SCHEMBL27568485 0.73 KIF11 (0.40) ALDH1A1
SCHEMBL30897571 0.73 PDCD1 (0.46) CD274PDCD1CNR1CNR2PPARG
Tetramethylammonium Ion SCHEMBL5079971 0.72 ALDH1A1 (0.30) ALDH1A1HPGDBCL2L1HSD17B10
SCHEMBL8016450 0.72 KCNN4 (0.38)
SCHEMBL4642896 0.72 PTGDR2 (0.40) CNR1CNR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6096794-A PHOTOINITIATOR SYSTEM FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED POLYMERIZABLE COMPOUNDS CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-01 US disclosed
US-6090865-A PHOTOINITIATOR SYSTEM COMPRISING (A) AT LEAST ONE O-ALKYLATED AROMATIC NITROGEN-HETEROCYCLE AMINE OXIDE CATION SALT AND (B) AT LEAST ONE ELECTRON DONOR COMPOUND. CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-07-18 US disclosed
EP-0896587-A1 POLYMERISABLE COMPOSITION Ciba SC Holding AG (CH) 1999-02-17 EP disclosed
WO-1997042227-A1 POLYMERISABLE COMPOSITION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1997-11-13 WO disclosed