SCHEMBL5315410

SCHEMBL5315410

CC(C)(C)Oc1ccc([C]2CC2(Cl)Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ RIPK1 Q13546 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ PTGS2 P35354 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PDE2A O00408 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
SCHEMBL4337817 0.78 CA1 (0.48) PTGS2MAPT
SCHEMBL198046 0.76 RIPK1 (0.43) SLC6A2SLC6A4SLC6A3RIPK1LMNA
SCHEMBL4344291 0.74 KIF11 (0.43) LMNATSHRKIF11KMT2A
SCHEMBL26746 0.73 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3RIPK1PPARA
SCHEMBL4322138 0.73 ALDH1A3 (0.41) TSHRKMT2A
SCHEMBL4335863 0.73 NQO1 (0.54) LMNACYP2C9TSHRMEN1CYP1A2
SCHEMBL18249267 0.71 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3RIPK1PPARA
SCHEMBL19339946 0.70 MAPT (0.40) SLC6A2SLC6A4SLC6A3RIPK1TSHR
SCHEMBL23177527 0.69 ESR2 (0.54) TSHRMAPT
SCHEMBL7861289 0.69 NPC1 (0.43) RIPK1LMNAPPARACYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007100161-A1 METHOD FOR PREFERENTIAL PRODUCTION OF GEOMETRIC ISOMERS AND ISOLATION METHOD NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-09-07 — — WO disclosed
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