SCHEMBL7767567

SCHEMBL7767567

CCc1ccc(-c2nc(-c3ccc(O)cc3O)nc(-c3ccc(CC)cc3CC)n2)c(CC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ DAO P14920 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CKS1B P61024 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 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
SCHEMBL24419694 0.83 TRPA1 (0.59) TRPA1DAOALDH1A1TP53CYP1A2
SCHEMBL1245239 0.83 HSP90AA1 (0.48) TRPA1HSP90AA1ALDH1A1HSD17B10NPC1
SCHEMBL1245240 0.83 TP53 (0.39) TRPA1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL8018392 0.82 SLC5A1 (0.43) HSP90AA1ALDH1A1TP53CYP1A2HPGD
SCHEMBL21925061 0.79 NR5A1 (0.47) ALDH1A1TP53NPC1LMNAMAPT
SCHEMBL29625130 0.77 NPC1 (0.52) HSP90AA1ALDH1A1HPGDTYRNPC1
SCHEMBL547889 0.77 NPC1 (0.52) HSP90AA1ALDH1A1HPGDTYRNPC1
SCHEMBL8018207 0.77 ALDH1A1 (0.41) TRPA1BACE1DAOALDH1A1TP53
Water SCHEMBL8683475 0.75 NPC1 (0.50) HSP90AA1ALDH1A1HPGDTYRNPC1
SCHEMBL28252223 0.75 HSD17B1 (0.45) TRPA1BACE1ALDH1A1HPGDALOX15

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
EP-1109792-A1 PROCESS FOR MAKING 2- (2,4- DIHYDROXYPHENYL) OR 2- (2,4- DIALKOXYPHENYL)- 4,6- BISARYL- 1,3,5- TRIAZINES CYTEC TECHNOLOGY CORP. (US) 2001-06-27 — — EP disclosed
WO-2000014077-A1 PROCESS FOR MAKING 2- (2,4- DIHYDROXYPHENYL) OR 2- (2,4- DIALKOXYPHENYL)- 4,6- BISARYL- 1,3,5- TRIAZINES CYTEC TECHNOLOGY CORP. (US) 2000-03-16 — — WO disclosed
US-5744554-A A PHOSPHITE, A STERICALLY HINDERED PHENOL, A LEWIS BASE AND A DIFUNCTIONAL EPOXY RESIN CIBA SPECIALTY CHEMICALS CORPORATION (US) 1998-04-28 — — US disclosed
US-5075481-A Oxidation, heat, radiation resistance CIBA-GEIGY CORPORATION (US) 1991-12-24 — — US disclosed
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