SCHEMBL9624348

SCHEMBL9624348

CCCCCCCCCCCOc1ccc(-c2ccc(OCC(C)OC(=O)CCCC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.56
PLA2G4B P0C869 5/20 0.51
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
CNR2 P34972 2/20 0.47
NR5A1 Q13285 1/20 0.47
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
PPARG P37231 2/20 0.44
PPARA Q07869 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9624929 1.00 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9625573 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9624920 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9625169 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9624091 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9625119 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9624546 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9624562 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9624924 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2
SCHEMBL9624439 0.97 RARB (0.56) RARBPLA2G4BTP53TSHRCNR2

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-0255219-B1 OMEGA-SUBSTITUTED, OPTICALLY ACTIVE 2-ALKANOL ESTER DERIVATIVES Chisso Corporation (JP) 1992-03-11 EP disclosed
US-5047172-A W-substituted, optically active alkanol ester derivatives CHISSO CORPORATION (JP) 1991-09-10 US disclosed