SCHEMBL8870972

SCHEMBL8870972

COC(=O)CCc1ccccc1C[C@@H]1[C@H](C(=O)O)[C@H]2CC[C@@H]1O2

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 15/20 0.47
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42

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
SCHEMBL8988219 1.00 TBXA2R (0.47) TBXA2RPPM1BPTPN1PPP1CC
SCHEMBL8870983 1.00 TBXA2R (0.47) TBXA2RPPM1BPTPN1PPP1CC
SCHEMBL9201397 0.87 TBXA2R (0.55) TBXA2R
SCHEMBL10437533 0.87 TBXA2R (0.55) TBXA2R
SCHEMBL250155 0.86 LMNA (0.41) TBXA2RPPM1BPTPN1PPP1CC
SCHEMBL9197017 0.77 TBXA2R (0.53) TBXA2R
SCHEMBL9718067 0.77 TBXA2R (0.47) TBXA2R
SCHEMBL14415445 0.76 SLC6A3 (0.35) TBXA2R
SCHEMBL9718198 0.75 TBXA2R (0.45) TBXA2R
SCHEMBL9718203 0.75 TBXA2R (0.45) TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5618946-A 7-oxabicycloheptane carboxylic acid prostaglandin analog intermediates useful in the preparation of anti-thrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-08 US disclosed
US-5539130-A CHEMICAL CONDENSATION FOLLOWED BY CATALYTIC HYDROGENATION BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-23 US disclosed
US-5539126-A PROSTAGLANDIN ANALOGS, THROMBOXANE A2 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-07-23 US disclosed
US-5508445-A FORMING A CHEMICAL INTERMEDIATE ALDEHYDE, STARTING AN AMINE AND AN ANHYDRIDE TO FORM AN IMIDE, THEN GRIGNARD REACTION, REACTING WITH A REDUCING AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-04-16 US disclosed
EP-0678507-A1 Method for preparing homochiral maleimide intermediates, via silylation techniques, used in the enantioselective preparation of anti-thrombotic and anti-vasospastic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-25 EP disclosed
US-5436347-A Benzaldehyde intermediates useful in the preparation of 7-oxabicycloheptane carboxylic acid prostaglandin analog anti-thrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-25 US disclosed
US-5399725-A Forming alcohol-amides by reacting a 7-oxabicycloheptane imide with a 2-/2-metallated phenyl/-1,3-dioxolane /metal is lithium or magnesium bromide/ and reducing the product BRISTOL-MYERS SQUIBB CO. (US) 1995-03-21 US disclosed
EP-0626384-A1 7-Oxabicycloheptane carboxylic acid prostaglandin analog intermediates useful in the preparation of antithrombotic and anti-vasospastic compounds and method for preparing same BRISTOL-MYERS SQUIBB COMPANY (US) 1994-11-30 EP disclosed
US-5332840-A Acylation an anhydride and reaction with oxazolidine to form benzaldehyde BRISTOL-MYERS SQUIBB COMPANY (US) 1994-07-26 US disclosed