SCHEMBL8890522

SCHEMBL8890522

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1Cc1ccccc1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.38
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
S1PR1 P21453 1/20 0.37
SCN9A Q15858 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL8100224 0.81 MGLL (0.35) PTGDR2CYP11B1CYP11B2S1PR1SCN9A
SCHEMBL8889548 0.76 DHODH (0.47) PTGDR2
SCHEMBL9115252 0.75 TRPV1 (0.47) CYP11B1CYP11B2
SCHEMBL9113721 0.73 RXRA (0.37) CYP11B1CYP11B2RXRARXRBRXRG
SCHEMBL8891259 0.71 MAP2K1 (0.34) ALDH1A1
SCHEMBL5162176 0.70 CRACR2A (0.37)
SCHEMBL9116747 0.69 MEN1 (0.42) CYP11B1CYP11B2ALDH1A1
SCHEMBL8891110 0.69 DHODH (0.43) PTGDR2
SCHEMBL8893509 0.69 KMT2A (0.32) ALDH1A1
SCHEMBL9116453 0.68 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed