SCHEMBL7962878

SCHEMBL7962878

O=C(O)COc1cccc2c(CCCSC(c3ccccc3)c3ccccc3)coc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 17/20 1.00
TBXA2R P21731 14/20 1.00
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PSMB8 P28062 1/20 0.36
PSMB5 P28074 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7958505 0.94 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7959451 0.87 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948985 0.87 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948621 0.87 PTGIR (0.86) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958040 0.87 PTGIR (0.86) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7948480 0.86 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7956621 0.86 PTGIR (0.85) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958576 0.84 PTGIR (0.81) PTGIRTBXA2RKDM4EPSMB8PSMB5
SCHEMBL7962535 0.84 PTGIR (0.80) PTGIRTBXA2RKDM4EALDH1A1HPGD
SCHEMBL7958337 0.82 PTGIR (1.00) PTGIRTBXA2RKDM4EALDH1A1HPGD

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
US-6323235-B1 CARDIOVASCULAR DISORDERS, ANTIISCHEMIC AGENTS AND ENZYME INHIBITORS OHTAKE ATSUSHI (JP) 2001-11-27 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed