SCHEMBL8637813

SCHEMBL8637813

C[C@@H](Cc1ccc(OCC2CCN(c3ccncc3)CC2)cc1)C(=O)ONC(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.44
ITGB3 P05106 4/20 0.43
ITGA2B P08514 4/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 2/20 0.42
ACACB O00763 2/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRIN2B Q13224 1/20 0.40
YAP1 P46937 2/20 0.39

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
SCHEMBL7326259 0.84 YAP1 (0.53) ITGB3ITGA2BCTSSCTSKYAP1
SCHEMBL7326264 0.78 ITGB3 (0.46) F10ITGB3ITGA2BCTSSCTSK
SCHEMBL7327020 0.78 ACACB (0.47) F10ITGB3ITGA2BACACB
SCHEMBL7327023 0.78 ACACB (0.47) F10ITGB3ITGA2BACACB
Hydrochloric Acid SCHEMBL7329132 0.77 F10 (0.47) F10ITGB3ITGA2BACACB
Hydrochloric Acid SCHEMBL7329134 0.77 F10 (0.47) F10ITGB3ITGA2BACACB
SCHEMBL8605366 0.77 F10 (0.48) F10ITGB3ITGA2BACACB
SCHEMBL7449579 0.77 F10 (0.48) F10ITGB3ITGA2BACACB
SCHEMBL7401785 0.76 ITGB3 (0.55) ITGB3ITGA2BYAP1
SCHEMBL7404574 0.76 ITGB3 (0.64) ITGB3ITGA2BYAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5750754-A TERTIARY BUTYL 3-METHYL-4-SUBSTITUTED BUTYRATE; CHEMICAL INTERMEDIATES FOR ANTICAOGULANT DRUGS ZENECA LIMITED (GB) 1998-05-12 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed