SCHEMBL7301919

SCHEMBL7301919

COc1cc(-c2ccc(C(=N)N)cc2)ccc1OC[C@@H]1C[C@@H](CC(=O)O)C(=O)N1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.72
ITGA2B P08514 1/20 0.72
IRAK4 Q9NWZ3 9/20 0.41
LTB4R Q15722 2/20 0.40
PRSS1 P07477 4/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38

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
SCHEMBL7272822 0.92 ITGB3 (0.71) ITGB3ITGA2BIRAK4PRSS1PDE4A
Hydrochloric Acid SCHEMBL7273087 0.91 ITGB3 (0.59) ITGB3ITGA2BIRAK4LTB4RPRSS1
SCHEMBL7284962 0.88 ITGB3 (0.74) ITGB3ITGA2BIRAK4
Fradafiban SCHEMBL380350 0.84 ITGB3 (1.00) ITGB3ITGA2BPRSS1
Fradafiban SCHEMBL8863359 0.84 ITGB3 (1.00) ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL7284581 0.84 ITGB3 (0.58) ITGB3ITGA2BIRAK4PRSS1
Fradafiban SCHEMBL7280818 0.83 ITGB3 (0.98) ITGB3ITGA2BPRSS1
SCHEMBL7272827 0.81 ITGB3 (0.69) ITGB3ITGA2BIRAK4
Hydrochloric Acid SCHEMBL7272734 0.81 ITGB3 (0.58) ITGB3ITGA2BIRAK4
SCHEMBL7302904 0.80 ITGB3 (0.64) ITGB3ITGA2BIRAK4LTB4RLTB4R2

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-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