SCHEMBL9798019

SCHEMBL9798019

CCCc1ccc(C2(O)CCC(C(=O)O)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.50
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 4/20 0.41
S1PR4 O95977 3/20 0.41
S1PR5 Q9H228 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GRIK2 Q13002 1/20 0.38
PLK1 P53350 1/20 0.37
ACACB O00763 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9797851 0.92 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1S1PR1
SCHEMBL9797932 0.90 S1PR3 (0.53) OPRL1OPRM1OPRD1OPRK1S1PR1
SCHEMBL9798829 0.89 S1PR3 (0.55) OPRL1S1PR1S1PR3S1PR4S1PR5
SCHEMBL9797674 0.89 S1PR3 (0.55) OPRL1S1PR1S1PR3S1PR4S1PR5
SCHEMBL9798111 0.89 S1PR3 (0.55) OPRL1S1PR1S1PR3S1PR4S1PR5
SCHEMBL9797993 0.88 ALDH1A1 (0.49) OPRL1OPRM1OPRD1OPRK1S1PR1
SCHEMBL9810262 0.85 OPRL1 (0.44) OPRL1OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL9810389 0.83 OPRM1 (0.43) OPRL1OPRM1OPRD1OPRK1L3MBTL1
SCHEMBL11077672 0.83 OPRL1 (0.52) OPRL1OPRM1OPRD1OPRK1PLK1
SCHEMBL9810386 0.82 OPRL1 (0.43) OPRL1OPRM1OPRD1OPRK1ALDH1A1

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-0261160-B1 ALICYCLIC COMPOUNDS MERCK PATENT GmbH (DE) 1991-03-06 EP disclosed