SCHEMBL9030618

SCHEMBL9030618

O=C(O)COc1ccc(C(=O)CN2CCN(C3CCNCC3)C(=O)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
ITGB3 P05106 7/20 0.42
ITGA2B P08514 7/20 0.42
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.36
GPR35 Q9HC97 1/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 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
Hydrochloric Acid SCHEMBL9030762 0.99 TP53 (0.46) TP53ITGB3ITGA2BLMNAMEN1
SCHEMBL9030979 0.86 TP53 (0.44) TP53ITGB3ITGA2BLMNAMEN1
SCHEMBL27446878 0.85 TP53 (0.53) TP53LMNAPOLBRAB9A
Hydrochloric Acid SCHEMBL9031173 0.85 TP53 (0.44) TP53LMNAMEN1KMT2A
SCHEMBL8314973 0.83 ITGB3 (0.39) ITGB3ITGA2BMEN1NPC1POLB
SCHEMBL9031663 0.83 ITGB3 (0.37) ITGB3ITGA2BMEN1NPC1POLB
Hydrochloric Acid SCHEMBL9032372 0.83 ITGB3 (0.37) ITGB3ITGA2BMEN1NPC1POLB
Hydrochloric Acid SCHEMBL7682728 0.82 ITGB3 (0.39) ITGB3ITGA2BMEN1NPC1POLB
SCHEMBL9058657 0.79 TRPV6 (0.46) ITGB3ITGA2BLMNA
SCHEMBL9030136 0.77 RAB9A (0.39) ITGB3ITGA2BMEN1NPC1POLB

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