SCHEMBL6202645

SCHEMBL6202645

Cc1ccc(C2(OC(=O)O)CCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ OPRL1 P41146 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ HTR1E P28566 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CCR2 P41597 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ MAOB P27338 3/20 0.35
▸ MAOA P21397 1/20 0.35
▸ AKR1C1 Q04828 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
SCHEMBL7915820 0.84 LMNA (0.40) OPRM1SMN1; SMN2KMT2AMAPTHTR1E
SCHEMBL6036843 0.83 AKR1C1 (0.52) OPRM1OPRK1OPRL1SMN1; SMN2KMT2A
SCHEMBL6036780 0.82 HDAC4 (0.47) ALDH1A1HSD11B1CCR2DRD2DRD4
SCHEMBL9191673 0.81 AKR1C1 (0.50) OPRM1OPRL1SMN1; SMN2KMT2AHSD11B1
SCHEMBL10062522 0.80 CA1 (0.38) OPRM1SMN1; SMN2KMT2AMAPTHTR1E
SCHEMBL26085136 0.79 OPRM1 (0.36) OPRM1SMN1; SMN2KMT2AMAPTHTR1E
SCHEMBL10062521 0.79 CA1 (0.38) OPRM1SMN1; SMN2KMT2AMAPTHTR1E
SCHEMBL26958140 0.78 MAPT (0.38) OPRM1OPRK1SMN1; SMN2KMT2AMAPT
SCHEMBL26941579 0.77 GSK3B (0.40) OPRM1OPRK1SMN1; SMN2MAPTALDH1A1
SCHEMBL19753647 0.77 ADORA3 (0.39) OPRM1OPRK1SMN1; SMN2KMT2AMAPT

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
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 — — EP claimed
Send feedback