SCHEMBL7387501

SCHEMBL7387501

CCOC(=O)CCNC(=O)NCCCCc1ccc(C=NN)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 3/20 0.48
CYP4F11 Q9HBI6 1/20 0.46
CYP4F12 Q9HCS2 1/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
KMT2A Q03164 3/20 0.41
S1PR1 P21453 1/20 0.40
PPIB P23284 1/20 0.39
PPIA P62937 1/20 0.39
PPID Q08752 1/20 0.39
PPIG Q13427 1/20 0.39

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
SCHEMBL7385812 0.84 S1PR1 (0.49) KMT2AS1PR1
SCHEMBL7387496 0.81 ITGB3 (0.54) CYP4Z1CYP4F11CYP4F12ALDH1A1POLB
SCHEMBL7383875 0.80 CYP4Z1 (0.39) CYP4Z1CYP4F11CYP4F12ALDH1A1MAPK1
SCHEMBL7385708 0.79 TSHR (0.53) POLBKMT2A
SCHEMBL8995555 0.76 MEN1 (0.55) ALDH1A1KMT2A
SCHEMBL7386535 0.75 ITGB3 (0.49) CYP4Z1CYP4F11CYP4F12ALDH1A1MAPK1
SCHEMBL7386038 0.75 TSHR (0.42) POLB
SCHEMBL7353561 0.74 LMNA (0.49) ALDH1A1GAATDP1KMT2A
SCHEMBL7384441 0.74 EPHX2 (0.49) ALDH1A1KMT2A
SCHEMBL12341372 0.74 EPHX2 (0.56) ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344837-A Platelet aggregation inhibitors G.D. SEARLE & CO. (US) 1994-09-06 US disclosed
WO-1994001396-A1 PHENYL AMIDINE UREA DERIVATIVES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-20 WO disclosed
US-5272162-A Platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1993-12-21 US disclosed