SCHEMBL7956568

SCHEMBL7956568

CC(OC1CCCCO1)c1c(CCO)oc2c(CC(=O)O)cccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.35
STING1 Q86WV6 1/20 0.35
PTGER4 P35408 1/20 0.35
TBXA2R P21731 1/20 0.33
PTGIR P43119 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC6A3 Q01959 2/20 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
SCHEMBL7963142 0.86 PTGIR (0.48) TBXA2RPTGIR
SCHEMBL7956565 0.80 MEN1 (0.39) GLASTING1TBXA2RPTGIRMEN1
SCHEMBL7958633 0.74 TBXA2R (0.40) TBXA2RPTGIR
SCHEMBL7959858 0.71 TBXA2R (0.37) TBXA2RPTGIR
SCHEMBL7963138 0.66 TBXA2R (0.56) TBXA2RPTGIRMEN1KMT2A
SCHEMBL7948790 0.64 SMN1; SMN2 (0.41) TBXA2RPTGIRMEN1KMT2A
SCHEMBL7221504 0.64 HPGD (0.44) MEN1KMT2A
SCHEMBL13686149 0.63 SLC6A3 (0.46) PTGER4MEN1KMT2ASLC6A3
SCHEMBL5003478 0.63 MEN1 (0.39) MEN1KMT2ASLC6A3
SCHEMBL11770475 0.61 ITGB1 (0.40) MEN1KMT2ASLC6A3

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