SCHEMBL10405171

SCHEMBL10405171

C[C@](NC(=O)n1ccnc1)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.44
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
GPR132 Q9UNW8 1/20 0.40
FAAH O00519 2/20 0.39
MGLL Q99685 2/20 0.39
CYP26A1 O43174 3/20 0.37
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL10405169 1.00 CYP24A1 (0.44) CYP24A1CYP11B1CYP11B2GPR132FAAH
SCHEMBL10660559 0.79 CYP24A1 (0.43) CYP24A1FAAHMGLLCYP26A1KDM4E
SCHEMBL9471581 0.79 CYP11B1 (0.40) CYP24A1CYP11B1CYP11B2FAAHMGLL
SCHEMBL9913370 0.77 KDM4E (0.44) CYP24A1CYP26A1KDM4E
SCHEMBL4256422 0.76 QPCT (0.39) CYP24A1
SCHEMBL29793498 0.72 HDAC3 (0.47) GPR132KDM4E
Imidazole-1-Carboxylic Acid Phenylamide SCHEMBL10668282 0.72 RAB9A (0.50) FAAHMGLLKDM4E
SCHEMBL23455649 0.72 SMN1; SMN2 (0.54) CYP19A1
SCHEMBL21807366 0.71 HDAC3 (0.46) GPR132KDM4E
SCHEMBL28250865 0.71 HDAC3 (0.46) GPR132KDM4E

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-4929736-A INHIBITORS OF ELASTASE, AZOLIDES BOARD OF TRUSTEES OF THE WICHITA STATE UNIVERSITY (US) 1990-05-29 US disclosed