SCHEMBL8995542

SCHEMBL8995542

N#Cc1ccc(CCCCNC(=O)[C@@H](CC(=O)O)n2cccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CNR1 P21554 1/20 0.39
EP300 Q09472 1/20 0.39
CCR3 P51677 1/20 0.38
SLC1A2 P43004 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
MDM2 Q00987 1/20 0.38
PPARG P37231 1/20 0.38
MMP8 P22894 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
SCHEMBL8995539 1.00 NAMPT (0.45) NAMPTMMP12MMP13KMT2AALDH1A1
SCHEMBL8995566 0.86 NAMPT (0.44) NAMPTKMT2AALDH1A1HPGDCYP2D6
SCHEMBL8995531 0.81 ITGB3 (0.51)
SCHEMBL8995540 0.80 KMT2A (0.38) KMT2AALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7421065 0.75 ITGB3 (0.55) NAMPTKMT2AALDH1A1HPGDLMNA
SCHEMBL7421070 0.75 ITGB3 (0.55) NAMPTKMT2AALDH1A1HPGDLMNA
SCHEMBL7383847 0.73 EPHX2 (0.57) NAMPTCCR3
SCHEMBL7417133 0.70 MMP2 (0.50) NAMPTMMP12MMP13LMNATSHR
SCHEMBL8995577 0.69 MMP12 (0.39) NAMPTMMP12MMP13KMT2ACYP2D6
SCHEMBL7365013 0.68 FFAR1 (0.60) MMP12MMP13TSHR

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
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed
US-5424334-A Peptide mimetic compounds useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1995-06-13 US disclosed