SCHEMBL8995575

SCHEMBL8995575

CS(=O)(=O)NC(CCC(=O)O)C(=O)NCCCCc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
NAMPT P43490 1/20 0.39
FFAR1 O14842 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
PTPN1 P18031 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 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
SCHEMBL8995577 1.00 MMP12 (0.39) MMP12MMP13NAMPTFFAR1LMNA
SCHEMBL7423093 0.82 ITGB3 (0.54)
SCHEMBL7423099 0.82 ITGB3 (0.54)
SCHEMBL7423101 0.82 S1PR2 (0.38) LMNATSHRPTPN1CYP2D6CYP2C9
SCHEMBL7417133 0.80 MMP2 (0.50) MMP12MMP13NAMPTLMNATSHR
SCHEMBL8995579 0.79 ITGB3 (0.41) LMNATSHRPTPN1
SCHEMBL7423594 0.77 CTSS (0.55) KMT2A
SCHEMBL8995569 0.77 CTSS (0.55) KMT2A
SCHEMBL7423600 0.77 CTSS (0.55) KMT2A
SCHEMBL7421070 0.75 ITGB3 (0.55) NAMPTLMNATSHRPTPN1KMT2A

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