SCHEMBL9401186

SCHEMBL9401186

CCCc1c(OC)cc(C2CCC(=O)O2)cc1S(=O)(=O)CCO

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 17/20 0.54
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9660558 0.84 PTAFR (0.74) PTAFR
SCHEMBL8752397 0.78 PTAFR (0.35) PTAFRPDE3BPDE3AKDM4EALDH1A1
SCHEMBL9660003 0.78 PTAFR (0.38) PTAFRPDE3BPDE3A
SCHEMBL9662342 0.71 PTAFR (0.37) PTAFR
SCHEMBL9401188 0.71 PTAFR (0.58) PTAFR
SCHEMBL9859555 0.70 PTAFR (1.00) PTAFR
SCHEMBL9859558 0.70 PTAFR (1.00) PTAFR
SCHEMBL8752379 0.70 PTAFR (1.00) PTAFR
SCHEMBL9689907 0.69 PTAFR (0.96) PTAFR
SCHEMBL9689918 0.69 PTAFR (0.96) PTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292946-A Reducing agent MERCK & CO., INC. (US) 1994-03-08 US disclosed
EP-0478062-A1 In-situ preparation of diisopinocampheyl chloroborane MERCK & CO. INC. (US) 1992-04-01 EP disclosed
EP-0478063-A1 Method of making optically active alcohols MERCK & CO. INC. (US) 1992-04-01 EP disclosed
US-5099033-A Condensation of bromine compound with organometallic compound to form platelet activating factor antagonist, anticoagulants, hypotensives, antiinflammatory agents and cardiovascular disorders MERCK & CO., INC. (US) 1992-03-24 US disclosed
EP-0465122-A1 Process of making 2,5-diaryl tetrahydrofurans and analogs thereof useful as paf antagonists MERCK & CO. INC. (US) 1992-01-08 EP disclosed