SCHEMBL9199786

SCHEMBL9199786

CCCC1(c2ccccc2)CC(O)=C(CCCc2cccc(O)c2)C(=O)O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.40
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
OPRM1 P35372 5/20 0.40
OPRD1 P41143 5/20 0.40
CALM1 P0DP23 1/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
HTR7 P34969 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
LDHA P00338 1/20 0.34

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
SCHEMBL9195240 0.91 LDHA (0.38) OPRM1ESR1ESR2LDHA
SCHEMBL6604120 0.81 OPRK1 (0.37) OPRK1DRD2DRD3OPRM1OPRD1
SCHEMBL9198951 0.80 LDHA (0.40) LDHA
SCHEMBL6608872 0.76 LDHA (0.41) OPRM1DRD1LDHA
SCHEMBL6604499 0.76 MMP2 (0.40) CNR1CNR2GPR55LDHA
SCHEMBL9198735 0.76 LDHA (0.41) OPRK1DRD2DRD3OPRM1OPRD1
SCHEMBL9199813 0.74 MLNR (0.41) OPRD1ESR1ESR2DRD1
SCHEMBL6175249 0.74 MLNR (0.41) OPRM1OPRD1DRD1LDHA
SCHEMBL6606915 0.73 LDHA (0.47) LDHA
SCHEMBL3632231 0.73 HTR2B (0.40) OPRD1ESR1ESR2DRD1

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-0668860-A1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1995-08-30 EP claimed
EP-0541798-B1 NEW DIAMINE COMPOUND AND BRAIN PROTECTING AGENT CONTAINING THE SAME KOWA CO (JP) 1995-11-29 EP disclosed