SCHEMBL12019284

SCHEMBL12019284

CC[C@@H](C)N1CCC(C(=O)O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.40
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 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
SCHEMBL17075211 0.81 NOTUM (0.38) NOTUMALOX15NPC1RAB9AKMT2A
SCHEMBL11984354 0.77 CACNA1G (0.43) NOTUMCASP1CASP7NPC1RAB9A
SCHEMBL16250257 0.75 KDM4C (0.44) NOTUMALDH1A1NPC1RAB9AOPRM1
SCHEMBL10029734 0.75 TSHR (0.41) KDM4ETSHR
SCHEMBL30899464 0.75 KDM4C (0.44) NOTUMALDH1A1NPC1RAB9AOPRM1
SCHEMBL13180794 0.75 NOTUM (0.45) NOTUMALDH1A1ALOX15TSHR
SCHEMBL28280937 0.72 NOTUM (0.43) NOTUMALDH1A1NPC1RAB9AKMT2A
SCHEMBL28280809 0.72 NOTUM (0.41) NOTUMALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11977476 0.71 NOTUM (0.39) NOTUMALDH1A1NPC1RAB9AKMT2A
SCHEMBL19643771 0.70 HTR6 (0.45) NOTUMNPC1RAB9AKMT2AOPRM1

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-2492262-A1 FUSED HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR Nissan Chemical Industries, Ltd. (JP) 2012-08-29 EP disclosed