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SCHEMBL9810562

SCHEMBL9810562

CCCCCCC(C)OC(=O)C1=CCC(c2ccc(-c3ccc(OCCCCC)cc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.42
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ S1PR3 Q99500 5/20 0.38
▸ S1PR5 Q9H228 6/20 0.37
▸ S1PR1 P21453 5/20 0.37
▸ TP53 P04637 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
SCHEMBL9810303 0.90 RARB (0.43) RARBRAB9ATSHRS1PR3TP53
SCHEMBL9810415 0.86 RARB (0.47) RARBRAB9ATHRATHRBTSHR
SCHEMBL9810294 0.86 RARB (0.47) RARBRAB9ATHRATHRBTSHR
SCHEMBL9810559 0.86 CYP2C9 (0.41) ALDH1A1
SCHEMBL9810445 0.86 RAB9A (0.39) RARBRAB9ATHRATHRBS1PR3
SCHEMBL9810552 0.86 CYP2C9 (0.41) ALDH1A1
SCHEMBL9810381 0.85 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9810455 0.85 RARB (0.45) RARBRAB9ATSHRS1PR3TP53
SCHEMBL9810542 0.85 RARB (0.45) RARBRAB9AALDH1A1THRBTSHR
SCHEMBL9810569 0.85 RARB (0.45) RARBRAB9ATSHRS1PR3TP53

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
US-5068389-A TERTIARY ALCOHOLS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 — — US disclosed