SCHEMBL14488787

SCHEMBL14488787

C[C@H]1Cc2ccc(O)cc2[C@@H]1c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
DRD1 P21728 5/20 0.46
HTR2A P28223 1/20 0.46
DRD2 P14416 2/20 0.44
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DRD5 P21918 3/20 0.41

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
SCHEMBL14489147 0.85 OPRM1 (0.47) OPRM1OPRD1OPRK1DRD2
SCHEMBL14489223 0.82 SLC22A12 (0.59) DRD1HSD17B10DRD5
SCHEMBL14489450 0.81 TRPM5 (0.49) HTR2A
SCHEMBL14489203 0.81 DRD5 (0.38) DRD5
SCHEMBL14488814 0.80 ALDH1A1 (0.44) ALDH1A1GAA
SCHEMBL8527088 0.80 OPRM1 (0.42) OPRM1
SCHEMBL14489160 0.80 OPRM1 (0.42) OPRM1
SCHEMBL7912606 0.79 SIGMAR1 (0.49) OPRM1OPRK1HTR2A
SCHEMBL14489319 0.79 MAPT (0.41) DRD2ALDH1A1HPGDDRD5
SCHEMBL14489216 0.78 OPRM1 (0.50) OPRM1OPRD1OPRK1HTR2ADRD5

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
WO-2007073503-A2 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-28 WO disclosed