SCHEMBL9749254

SCHEMBL9749254

CC1(C)CCc2ccc(Oc3ccc(N=C=O)cc3)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.39
PPARA Q07869 14/20 0.39
DAGLA Q9Y4D2 3/20 0.39
ABHD6 Q9BV23 2/20 0.39
PPARD Q03181 1/20 0.38
SCN9A Q15858 2/20 0.37
PDE4B Q07343 1/20 0.34

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
SCHEMBL9749319 0.90 DAGLA (0.47) PPARGPPARADAGLAABHD6SCN9A
SCHEMBL9847558 0.87 PPARA (0.38) PPARGPPARAPPARD
SCHEMBL9847583 0.85 PPARA (0.40) PPARGPPARADAGLAABHD6PPARD
SCHEMBL9847532 0.84 PPARA (0.36) PPARGPPARAPPARD
SCHEMBL9847571 0.82 PPARG (0.42) PPARGPPARAPPARD
SCHEMBL10733867 0.80 PDE4B (0.40) DAGLAABHD6PDE4B
SCHEMBL9749356 0.79 ALDH1A1 (0.48) PPARGPPARADAGLAABHD6PPARD
SCHEMBL9749398 0.78 RAB9A (0.45) PPARGPPARADAGLAABHD6PPARD
SCHEMBL9847591 0.76 HIF1A (0.33)
SCHEMBL4972696 0.74 CA2 (0.49) PPARASCN9A

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
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed