SCHEMBL9810294

SCHEMBL9810294

CCCCCCCCOC(=O)C1=CCC(c2ccc(-c3ccc(OCCCCC)cc3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.47
RAB9A P51151 1/20 0.44
S1PR3 Q99500 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
PLA2G4B P0C869 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
S1PR5 Q9H228 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL9810415 1.00 RARB (0.47) RARBRAB9AS1PR3TSHRTP53
SCHEMBL9810569 0.99 RARB (0.45) RARBRAB9AS1PR3TSHRTP53
SCHEMBL9810455 0.99 RARB (0.45) RARBRAB9AS1PR3TSHRTP53
SCHEMBL9810248 0.96 RARB (0.44) RARBRAB9AS1PR3TSHRTP53
SCHEMBL9810332 0.95 RARB (0.45) RARBRAB9AS1PR3TSHRTP53
SCHEMBL9810542 0.90 RARB (0.45) RARBRAB9AS1PR3TSHRTP53
SCHEMBL9810536 0.89 ALDH1A1 (0.41) RAB9ATSHRTP53LMNA
SCHEMBL9810571 0.89 ALDH1A1 (0.41) RAB9ATSHRTP53LMNA
SCHEMBL9810395 0.88 ALDH1A1 (0.41) RAB9ATSHRTP53LMNA
SCHEMBL9810303 0.88 RARB (0.43) RARBRAB9AS1PR3TSHRTP53

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