SCHEMBL10528745

SCHEMBL10528745

CCCCCCCc1cnc(-c2ccc(CC(C)C(Cl)C(=O)O)cc2)nc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 6/20 0.62
▸ ALDH1A1 P00352 5/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ NPC1 O15118 3/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ RARA P10276 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ STAT3 P40763 1/20 0.43
▸ ATM Q13315 1/20 0.43

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
SCHEMBL10548441 0.90 RARB (0.61) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10547790 0.90 RARB (0.61) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10544785 0.90 RARB (0.61) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10550237 0.90 RARB (0.61) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10544633 0.89 RARB (0.59) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9236481 0.87 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9238763 0.87 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9434994 0.87 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10547744 0.87 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL10548487 0.87 RARB (0.67) RARBALDH1A1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334925-A1 FERROELECTRIC LIQUID CRYSTALLINE PHASES MERCK PATENT GmbH (DE) 1989-10-04 — — EP disclosed
WO-1989003416-A1 FERROELECTRIC LIQUID CRYSTALLINE PHASES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-04-20 — — WO disclosed
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