SCHEMBL9810445

SCHEMBL9810445

CCCCCOc1ccc(-c2ccc(C3CC=C(C(=O)OCC(C)CCC)CC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.39
RARB P10826 5/20 0.39
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
S1PR3 Q99500 4/20 0.36
P2RY14 Q15391 1/20 0.36
LMNA P02545 1/20 0.35
S1PR1 P21453 5/20 0.35
S1PR5 Q9H228 4/20 0.35
PLA2G4B P0C869 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL9810455 0.88 RARB (0.45) RAB9ARARBS1PR3P2RY14LMNA
SCHEMBL9810332 0.88 RARB (0.45) RAB9ARARBS1PR3P2RY14LMNA
SCHEMBL9810569 0.88 RARB (0.45) RAB9ARARBS1PR3P2RY14LMNA
SCHEMBL9810415 0.87 RARB (0.47) RAB9ARARBTHRATHRBS1PR3
SCHEMBL9810294 0.87 RARB (0.47) RAB9ARARBTHRATHRBS1PR3
SCHEMBL9810248 0.87 RARB (0.44) RAB9ARARBS1PR3P2RY14LMNA
SCHEMBL9810562 0.86 RARB (0.42) RAB9ARARBTHRATHRBS1PR3
SCHEMBL9810303 0.85 RARB (0.43) RAB9ARARBS1PR3P2RY14LMNA
SCHEMBL9810275 0.85 SPHK1 (0.40) S1PR3S1PR1S1PR5
SCHEMBL9810542 0.84 RARB (0.45) RAB9ARARBTHRBS1PR3P2RY14

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