SCHEMBL9163381

SCHEMBL9163381

CCN(CCOc1ccc(Oc2ccc(Cl)cc2)cc1Cl)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PPARA Q07869 13/20 0.47
▸ PPARD Q03181 9/20 0.47
▸ PPARG P37231 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ PNLIP P16233 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9165335 0.92 NPC1 (0.48) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9158453 0.91 PPARA (0.59) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9162214 0.90 NPC1 (0.50) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9162147 0.88 PPARA (0.48) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9165782 0.87 PPARA (0.50) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9165311 0.85 PPARA (0.52) HPGDTSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9163276 0.85 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL10878193 0.83 PPARA (0.45) NPC1RAB9ASMN1; SMN2PPARAPPARD
SCHEMBL9163552 0.82 PPARA (0.48) PPARAPPARDPPARG
SCHEMBL10874997 0.80 MAPT (0.44) TSHRNPC1ALDH1A1

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
EP-0460472-B1 Carbamic acid derivatives, their production and use SUMITOMO CHEMICAL CO (JP) 1995-03-08 — — EP claimed
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