SCHEMBL7418544

SCHEMBL7418544

NN=Cc1ccccc1CCCCNC(=O)[C@H](O)CCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MMP8 P22894 2/20 0.36
NAAA Q02083 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34

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
SCHEMBL7418987 0.80 LMNA (0.41) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7418538 0.78 LMNA (0.39) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL4779824 0.69 LMNA (0.59) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL27742525 0.69 LMNA (0.59) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7412411 0.68 ITGB3 (0.61) LMNATSHR
SCHEMBL7412408 0.68 ITGB3 (0.61) LMNATSHR
SCHEMBL4780175 0.67 LMNA (0.57) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL7423101 0.65 S1PR2 (0.38) LMNATSHRCYP2D6CYP2C9CYP2C19
SCHEMBL2053185 0.64 MAPT (0.54) CYSLTR2CYSLTR1
SCHEMBL2048077 0.64 MAPT (0.54) CYSLTR2CYSLTR1

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-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
WO-1993012074-A1 PEPTIDE MIMETIC COMPOUNDS USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1993-06-24 WO disclosed