SCHEMBL9749319

SCHEMBL9749319

CC1(C)CCc2cc(Oc3ccc(N=C=O)cc3)ccc2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 6/20 0.47
ABHD6 Q9BV23 3/20 0.47
MAPT P10636 3/20 0.41
PLCG2 P16885 1/20 0.41
PKM P14618 2/20 0.40
PKLR P30613 1/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CTSB P07858 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SCN9A Q15858 2/20 0.36
TRIM24 O15164 1/20 0.36
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
COXFA4 O00483 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9749254 0.90 PPARG (0.39) DAGLAABHD6PPARGPPARASCN9A
SCHEMBL10733867 0.88 PDE4B (0.40) DAGLAABHD6MAPTCYP3A4
SCHEMBL9847558 0.78 PPARA (0.38) PPARGPPARA
SCHEMBL9847583 0.76 PPARA (0.40) DAGLAABHD6PPARGPPARA
SCHEMBL9847532 0.75 PPARA (0.36) PPARGPPARA
SCHEMBL21950002 0.74 MAPT (0.55) DAGLAABHD6MAPTPLCG2PKM
SCHEMBL21430750 0.73 MAPT (0.47) DAGLAMAPTPLCG2PKMPKLR
SCHEMBL4017321 0.73 MAPT (0.46) DAGLAABHD6MAPTPLCG2PKM
SCHEMBL9847571 0.73 PPARG (0.42) PPARGPPARA
SCHEMBL7972444 0.72 MAPT (0.45) DAGLAABHD6MAPTPLCG2PKM

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