SCHEMBL8344918

SCHEMBL8344918

CC(C)(C)c1cc(-n2nc3cccc([S+]([O-])c4ccccc4)c3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL7785451 0.84 CYP1A2 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL11079994 0.82 NPC1 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31398377 0.81 NPC1 (0.37) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL28896700 0.81 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29350736 0.80 NPC1 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29708 0.80 NPC1 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL29451213 0.80 NPC1 (0.39) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5433950 0.79 NPC1 (0.44) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL20610499 0.79 NPC1 (0.36) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30050722 0.79 NPC1 (0.44) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977219-A Benzotriazole UV absorbers having enhanced durability CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-11-02 US claimed
US-5280124-A Having a phenol structure in position 2 CIBA-GEIGY CORPORATION (US) 1994-01-18 US claimed
US-5436349-A Photostabilizers for polymers for radiation resistance CIBA-GEIGY CORPORATION (US) 1995-07-25 US disclosed
US-5280124-A Having a phenol structure in position 2 CIBA-GEIGY CORPORATION (US) 1994-01-18 US disclosed
EP-0572554-A1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS Ciba SC Holding AG (CH) 1993-12-08 EP disclosed
WO-1992014717-A1 5-SULFONYL-SUBSTITUTED BENZOTRIAZOLE UV-ABSORBERS AND STABILIZED COMPOSITIONS CIBA-GEIGY AG (CH) 1992-09-03 WO disclosed