SCHEMBL7418987

SCHEMBL7418987

NN=Cc1ccc(CCCCNC(=O)[C@H](O)CCC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
S1PR2 O95136 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
MMP8 P22894 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36

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
SCHEMBL7423101 0.83 S1PR2 (0.38) LMNATSHRS1PR2S1PR1S1PR3
SCHEMBL7385812 0.82 S1PR1 (0.49) LMNATSHRS1PR1KMT2AITGB3
SCHEMBL8995559 0.81 KMT2A (0.44) LMNATSHRS1PR2S1PR1MMP8
SCHEMBL7418544 0.80 LMNA (0.38) LMNATSHRMMP8KMT2ACYP2D6
SCHEMBL7412411 0.79 ITGB3 (0.61) LMNATSHRITGB3ITGA2B
SCHEMBL7412408 0.79 ITGB3 (0.61) LMNATSHRITGB3ITGA2B
SCHEMBL8995553 0.79 FOLH1 (0.52) KMT2AALDH1A1HPGD
SCHEMBL7415259 0.79 FOLH1 (0.52) KMT2AALDH1A1HPGD
SCHEMBL7385516 0.79 MAPT (0.54) LMNATSHRS1PR2S1PR1S1PR3
SCHEMBL9394200 0.78 KCNH2 (0.38) S1PR2S1PR1S1PR3ITGB3ITGA2B

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