SCHEMBL6969830

SCHEMBL6969830

Cc1occ(C(C)(C)C)c1C([O])=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.34
GLRB P48167 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6966557 0.74 RAB9A (0.42) ALDH1A1POLBSMN1; SMN2MEN1NPC1
SCHEMBL14284014 0.69 ALDH1A1 (0.32) ALDH1A1CA2POLBTYRSMN1; SMN2
SCHEMBL8304086 0.67 NOTUM (0.33) GLRA3GLRBSMN1; SMN2NPC1
SCHEMBL6965564 0.65
SCHEMBL11696604 0.63 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1KMT2AKDM4E
SCHEMBL183194 0.61 RAB9A (0.42) ALDH1A1MEN1NPC1KMT2AKDM4E
SCHEMBL501929 0.61 POLB (0.44) GLRA3GLRBALDH1A1POLBMEN1
SCHEMBL1800550 0.61 NPC1 (0.42) ALDH1A1SMN1; SMN2NPC1KDM4E
SCHEMBL9223224 0.61 ALDH1A1 (0.44) L3MBTL1ALDH1A1CA2POLBSMN1; SMN2
SCHEMBL1005715 0.60 CA2 (0.45) GLRA3GLRBALDH1A1CA2KDM4E

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed