SCHEMBL7334662

SCHEMBL7334662

CCC(Br)C(C)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.38
FFAR3 O14843 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 4/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL6466730 0.83 MME (0.38) SLC22A6FFAR3TSHRTDP1CACNA2D1
SCHEMBL14369102 0.79 MME (0.42) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL28811052 0.79
SCHEMBL16689184 0.79 MME (0.42) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL1572703 0.79 MME (0.42) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL30155026 0.79
SCHEMBL5077944 0.78 SLC22A6 (0.50) SLC22A6FFAR3TSHRTDP1CACNA2D1
SCHEMBL304303 0.78 SLC22A6 (0.50) SLC22A6FFAR3TSHRTDP1CACNA2D1
SCHEMBL11922836 0.77 MME (0.41) SLC22A6FFAR3TDP1CACNA2D1CACNB3
SCHEMBL7528468 0.75 SLC22A6 (0.43) SLC22A6FFAR3TSHRTDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0825184-B1 Heterocyclic derivatives as platelet aggregation inhibitors ASTRAZENECA AB (SE) 2001-06-20 EP disclosed
EP-0691959-B1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LTD (GB) 1998-07-22 EP disclosed
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
EP-0825184-A1 Heterocyclic derivatives as platelet aggregation inhibitors ZENECA LIMITED (GB) 1998-02-25 EP disclosed
US-5652242-A 3-METHYL-4-(4-(4-(4-PYRIDYL)PIPERAZIN-1-YL)PHENOXY)BURYIC ACID, AMIDE OR ESTER; INHIBITORS OF BINDING OF FIBRINOGEN TO GLYCOPROTEIN ZENECA LIMITED (GB) 1997-07-29 US disclosed
US-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed
US-5556977-A ANTIAGGLOMERANTS FOR CELLS, ANTICOAGULANTS, ANTIISCHEMIC AGENTS USING PYRIDINYLPIPERAZINE DERIVATIVES ZENECA LIMITED (GB) 1996-09-17 US disclosed
EP-0691959-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-17 EP disclosed
EP-0690847-A1 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1996-01-10 EP disclosed
WO-1994022835-A2 HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
WO-1994022834-A1 HETEROCYCLIC DERIVATIVES AS PLATELET AGGREGATION INHIBITORS ZENECA LIMITED (GB) 1994-10-13 WO disclosed
US-4305876-A CULTURE PRODUCT INTERMEDIATE IN THE PREPARATION OF VITAMINS E AND K HOFFMANN-LA ROCHE, INC. (US) 1981-12-15 US disclosed
US-4138289-A ASYMMETRIC HYDROGENATION BY MICROORGANISM, FERMENTATION HOFFMANN-LA ROCHE INC. (US) 1979-02-06 US disclosed