SCHEMBL7283573

SCHEMBL7283573

COc1ccc(CCCN2C(=O)[C@H](CC(=O)O)C[C@H]2COc2ccc(-c3ccc(C(=N)N)cc3)cc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.49
ITGA2B P08514 2/20 0.49
LTB4R Q15722 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 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
SCHEMBL7273468 0.88 ITGB3 (0.54) ITGB3ITGA2BSMN1; SMN2ALDH1A1LMNA
SCHEMBL7276387 0.88 ITGB3 (0.54) ITGB3ITGA2BSMN1; SMN2ALDH1A1LMNA
SCHEMBL7284015 0.88 ITGB3 (0.36) ITGB3ITGA2BLTB4RALDH1A1KMT2A
SCHEMBL7275067 0.87 ITGB3 (0.49) ITGB3ITGA2B
SCHEMBL7283779 0.86 ITGB3 (0.49) ITGB3ITGA2B
Water SCHEMBL7275136 0.85 ITGB3 (0.50) ITGB3ITGA2B
SCHEMBL7283507 0.83 ITGB3 (0.55) ITGB3ITGA2BKMT2AMEN1
Water SCHEMBL7285222 0.83 ITGB3 (0.46) ITGB3ITGA2BPPARDPPARA
SCHEMBL7275215 0.83 ITGB3 (0.56) ITGB3ITGA2B
SCHEMBL7283093 0.83 ITGB3 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed