SCHEMBL11555166

SCHEMBL11555166

CCC(O)CN1N=C(c2ccc(C)cc2)CC(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
MAOB P27338 5/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAOA P21397 4/20 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
SCHEMBL11561396 0.90 NT5E (0.41) MAOBMAOA
SCHEMBL11556384 0.90 FPR1 (0.41) MAOBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11560670 0.89 CA1 (0.34) MAPTKDM4EGLAALDH1A1
SCHEMBL11561098 0.89 ALDH1A1 (0.43) MAOBNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL11559759 0.87 RAB9A (0.42) NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1
SCHEMBL11555482 0.79 FPR1 (0.39) MAOBMAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL11561705 0.78 ALDH1A1 (0.38) MAOBMAPTNPC1RAB9AKDM4E
SCHEMBL11527471 0.69 LMNA (0.51) TP53MAPTSMN1; SMN2ALDH1A1
SCHEMBL11526592 0.68 TP53 (0.43) TP53RAB9AALDH1A1
SCHEMBL11562685 0.67 MEN1 (0.39) MAPTGLAL3MBTL1ALDH1A1

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
US-4177273-A CENTRAL NERVOUS SYSTEM DEPRESSANTS SANDOZ, INC. (US) 1979-12-04 US disclosed