SCHEMBL9031663

SCHEMBL9031663

O=C(O)COc1ccc(C(=O)CN2CC(=O)N(C3CCNCC3)CC2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.37
ITGA2B P08514 7/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GPR35 Q9HC97 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ALOX15 P16050 1/20 0.34
TPSAB1 Q15661 1/20 0.34
TPSD1 Q9BZJ3 1/20 0.34
TPSG1 Q9NRR2 1/20 0.34
EGFR P00533 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
Hydrochloric Acid SCHEMBL9032372 1.00 ITGB3 (0.37) ITGB3ITGA2BMEN1KMT2AGPR35
Hydrochloric Acid SCHEMBL7682728 0.87 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2AGPR35
SCHEMBL9030418 0.86 HRH2 (0.42) KMT2ASMN1; SMN2
SCHEMBL8314973 0.85 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2AGPR35
SCHEMBL27504925 0.85 RAB9A (0.42) KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9030762 0.84 TP53 (0.46) ITGB3ITGA2BMEN1KMT2AGPR35
Hydrochloric Acid SCHEMBL9029951 0.83 RAB9A (0.39) ITGB3ITGA2BMEN1KMT2AGPR35
SCHEMBL9030618 0.83 TP53 (0.47) ITGB3ITGA2BMEN1KMT2AGPR35
SCHEMBL9030136 0.82 RAB9A (0.39) ITGB3ITGA2BMEN1KMT2AGPR35
SCHEMBL9058657 0.77 TRPV6 (0.46) ITGB3ITGA2B

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
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP claimed
EP-0721941-A1 NOVEL COMPOUND HAVING PLATELET AGGREGATION INHIBITOR EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1996-07-17 EP disclosed