SCHEMBL8428868

SCHEMBL8428868

CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)ONC(=O)c1cc(NC(=N)N)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
PSMB5 P28074 2/20 0.39
TACR1 P25103 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
ACE P12821 3/20 0.39
FPR2 P25090 1/20 0.39
ECE1 P42892 1/20 0.39
CTSD P07339 2/20 0.39
REN P00797 3/20 0.39
P2RX1 P51575 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL7375077 0.90 RHOC (0.39) RHOCRHOAPSMB5TACR1NOS3
SCHEMBL7380932 0.90 RHOC (0.43) RHOCRHOATACR1ALDH1A1NOS3
SCHEMBL7454545 0.84 FPR2 (0.45) ACEFPR2ECE1P2RX1
SCHEMBL7451733 0.84 FPR2 (0.45) ACEFPR2ECE1P2RX1
SCHEMBL7451739 0.84 ACE (0.45) RHOCRHOAPSMB5TACR1ALDH1A1
SCHEMBL7379710 0.81 ITGB3 (0.41) RHOCRHOAP2RX1MCL1
SCHEMBL7803127 0.77 FPR2 (0.45) RHOCRHOATACR1ACEFPR2
SCHEMBL7449645 0.76 ITGB3 (0.40) RHOCRHOAALDH1A1NOS3NOS1
SCHEMBL7378843 0.76 ITGB1 (0.47) ACEFPR2P2RX1
SCHEMBL7458234 0.76 ITGB1 (0.47) ACEFPR2P2RX1

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-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed