SCHEMBL7280400

SCHEMBL7280400

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCS(=O)(=O)c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.52
ITGA2B P08514 9/20 0.52
PPARD Q03181 1/20 0.34
F2 P00734 5/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
GLA P06280 1/20 0.33
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
F10 P00742 2/20 0.33
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
BRCA1 P38398 1/20 0.32
HTT P42858 1/20 0.32

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 SCHEMBL7275984 0.91 ITGB3 (0.43) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7283446 0.88 ITGB3 (0.50) ITGB3ITGA2BPPARDF2PRSS1
SCHEMBL7276387 0.86 ITGB3 (0.54) ITGB3ITGA2BF2ALDH1A1SMN1; SMN2
SCHEMBL7273468 0.86 ITGB3 (0.54) ITGB3ITGA2BF2ALDH1A1SMN1; SMN2
SCHEMBL7275930 0.86 ITGB3 (0.59) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7272750 0.86 ITGB3 (0.59) ITGB3ITGA2BF2ALDH1A1SMN1; SMN2
SCHEMBL7273000 0.85 ITGB3 (0.53) ITGB3ITGA2BPPARDALDH1A1SMN1; SMN2
Water SCHEMBL8881986 0.85 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1PRSS2
Water SCHEMBL8881880 0.84 ITGB3 (0.56) ITGB3ITGA2BPPARDF2PRSS1
SCHEMBL7271968 0.84 ITGB3 (0.53) ITGB3ITGA2BPPARDF2FFAR4

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