SCHEMBL3686259

SCHEMBL3686259

COc1ccc(C[C@H](NC(=O)Oc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGAV P06756 1/20 0.52
CA2 P00918 2/20 0.51
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
FPR2 P25090 1/20 0.50
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
PPARG P37231 2/20 0.48
PPARA Q07869 1/20 0.48
ALDH1A1 P00352 2/20 0.48
LDHA P00338 1/20 0.48
MEN1 O00255 1/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL3686265 1.00 ITGB3 (0.52) ITGB3ITGAVCA2KMT2AGAA
SCHEMBL1309029 0.91 GAA (0.50) KMT2AGAAMAPTRAB9AALDH1A1
SCHEMBL1309025 0.91 GAA (0.50) KMT2AGAAMAPTRAB9AALDH1A1
SCHEMBL1219646 0.89 MEN1 (0.53) CA2KMT2AFPR2MAPTRAB9A
SCHEMBL1219647 0.89 MEN1 (0.53) CA2KMT2AFPR2MAPTRAB9A
SCHEMBL6501552 0.86 CA2 (0.58) ITGB3CA2KMT2ARAB9APPARG
SCHEMBL2747164 0.84 KDM4A (0.57) ITGB3MAPTPPARG
SCHEMBL8718686 0.84 ALDH1A1 (0.59) ITGB3CA2KMT2AMAPTRAB9A
SCHEMBL8904772 0.84 ALDH1A1 (0.59) ITGB3CA2KMT2AMAPTRAB9A
SCHEMBL6921340 0.83 GAA (0.58) CA2KMT2AGAAMAPTRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352728-B1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RES & DEV (FR) 2014-05-21 EP disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed