SCHEMBL8995579

SCHEMBL8995579

CS(=O)(=O)N[C@H](CCC(=O)O)C(=O)NCCCCc1ccc(OC=NN)cc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
PTPN1 P18031 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35

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 0.85 S1PR2 (0.38) ITGB3ITGA2BCA1CA2S1PR2
SCHEMBL7423099 0.81 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL7423093 0.81 ITGB3 (0.54) ITGB3ITGA2B
SCHEMBL8995575 0.79 MMP12 (0.39) PTPN1LMNATSHR
SCHEMBL8995577 0.79 MMP12 (0.39) PTPN1LMNATSHR
SCHEMBL7414884 0.73 F2 (0.47) ITGB3ITGA2BALDH1A1
SCHEMBL7414880 0.73 F2 (0.47) ITGB3ITGA2BALDH1A1
SCHEMBL8810582 0.71 SRC (0.63)
SCHEMBL8421203 0.71 SRC (0.63)
SCHEMBL7418987 0.68 LMNA (0.41) ITGB3ITGA2BS1PR2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552431-A ANTICOAGULANTS G. D. SEARLE & CO. (US) 1996-09-03 US disclosed