SCHEMBL9738715

SCHEMBL9738715

CC(C)(C)C/C=C\CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.52
MAPT P10636 4/20 0.52
CYP19A1 P11511 4/20 0.52
ALDH1A1 P00352 3/20 0.52
RXRA P19793 2/20 0.52
OXER1 Q8TDS5 2/20 0.52
FFAR1 O14842 2/20 0.52
PPARD Q03181 5/20 0.41
PPARA Q07869 5/20 0.41
TERT O14746 3/20 0.41
PTPN1 P18031 3/20 0.41
F7 P08709 3/20 0.41
F3 P13726 3/20 0.41
BLM P54132 3/20 0.41
HSD17B10 Q99714 3/20 0.41
FABP4 P15090 3/20 0.41
TOP1 P11387 3/20 0.41
KMT2A Q03164 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
PTGS1 P23219 2/20 0.41

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
SCHEMBL9201431 1.00 PPARG (0.52) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL9201429 1.00 PPARG (0.52) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL13931836 0.87 PPARG (0.55) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL8458410 0.84 PPARG (0.63) PPARGMAPTCYP19A1ALDH1A1OXER1
SCHEMBL27534724 0.83 PPARG (0.48) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL1786831 0.82 ALDH1A1 (0.39) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL1786833 0.82 ALDH1A1 (0.39) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL12320543 0.82 PPARG (0.52) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL176453 0.80 PPARG (0.64) PPARGMAPTCYP19A1ALDH1A1RXRA
SCHEMBL2540034 0.80 PPARG (0.64) PPARGMAPTCYP19A1ALDH1A1RXRA

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-5100889-A Thromboxane A2 receptor antagonists, thromboxane synthetase inhibitor E. R. SQUIBB & SONS, INC. (US) 1992-03-31 US disclosed
EP-0374952-A2 7-Oxabicycloheptyl substituted heterocyclic amide prostaglandin analogs useful in the treatment of thrombotic and vasospastic disease E.R. SQUIBB & SONS, INC. (US) 1990-06-27 EP disclosed