SCHEMBL2151111

SCHEMBL2151111

CN(CC1CCCCC1)c1cccc(C(O)CCNC(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.39
TRPV1 Q8NER1 1/20 0.39
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TPSAB1 Q15661 1/20 0.36
OPRK1 P41145 3/20 0.36
OPRD1 P41143 2/20 0.36

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
SCHEMBL2166671 0.86 EPHX1 (0.39) BCHETRPV1OPRK1OPRD1
SCHEMBL2150429 0.84 BCHE (0.36) BCHETRPV1
SCHEMBL15576267 0.83 BCHE (0.36) BCHETRPV1OPRK1OPRD1
SCHEMBL2150626 0.83 ITGB1 (0.38) BCHEOPRK1OPRD1
SCHEMBL2150631 0.83 ITGB1 (0.38) BCHEOPRK1OPRD1
SCHEMBL3131903 0.77 KMT2A (0.39) BCHEKDM4E
SCHEMBL27840640 0.76 MTNR1A (0.45) BCHEKDM4ENPC1RAB9AGFER
SCHEMBL1710752 0.76 BCHE (0.38) BCHEKDM4E
SCHEMBL2151073 0.76 EPHX1 (0.42) BCHENPC1OPRK1OPRD1
SCHEMBL2797442 0.75 EPHX1 (0.36) BCHEOPRK1OPRD1

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-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO disclosed