SCHEMBL9724801

SCHEMBL9724801

[CH2][C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(=O)OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
KLK7 P49862 10/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL9724968 0.84 KMT2A (0.65) KLK7SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9724808 0.83 MEN1 (0.53) NPC1RAB9AKMT2ATP53ALDH1A1
SCHEMBL9724975 0.82 HPGD (0.54) HPGDKLK7KMT2AALDH1A1MEN1
SCHEMBL5037571 0.82 MAPK1 (0.63) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL9724829 0.80 BACE1 (0.54) SMN1; SMN2NPC1RAB9AKMT2ATP53
SCHEMBL9724978 0.79 KMT2A (0.52) KLK7SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9724923 0.79 RAB9A (0.50) SMN1; SMN2NPC1RAB9AKMT2ATP53
SCHEMBL9724950 0.78 ALDH1A1 (0.54) SMN1; SMN2KDM4ENPC1RAB9AKMT2A
SCHEMBL9724833 0.76 LMNA (0.54) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL1870609 0.76 ALDH1A1 (0.62) HPGDSMN1; SMN2KDM4ERAB9AKMT2A

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-5098934-A Enkephalinase inhibitors as analgesics or anticargcinogenic agents ROUSSEL UCLAF (FR) 1992-03-24 US disclosed