SCHEMBL9630254

SCHEMBL9630254

CCOc1ccc([C@H]2CC[C@H](C(C)C3CCC(CC)CC3)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.33
FFAR1 O14842 5/20 0.32
KDM1A O60341 2/20 0.32
IDO1 P14902 1/20 0.31
ACACB O00763 2/20 0.31
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 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
SCHEMBL9631259 0.91 HTR2C (0.33) FFAR1IDO1ACACBALOX5APFEN1
SCHEMBL9405701 0.91 KDM1A (0.36) TRPV3KDM1AALOX5APFEN1GRIN1
SCHEMBL12716045 0.91 KDM1A (0.36) TRPV3KDM1AALOX5APFEN1GRIN1
SCHEMBL9405698 0.91 KDM1A (0.36) TRPV3KDM1AALOX5APFEN1GRIN1
SCHEMBL9631940 0.90 SCN9A (0.34) FFAR1ALOX5APFEN1
SCHEMBL9631421 0.90 CYP2C9 (0.33) FFAR1KDM1AIDO1
SCHEMBL9632437 0.89 SCN9A (0.32) ALOX5APFEN1
SCHEMBL9631110 0.88 CNR1 (0.32)
SCHEMBL9631946 0.88 HPGD (0.32)
SCHEMBL9405954 0.87 GAA (0.32) FFAR1

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
EP-0364538-B1 DIFLUOROBENZOL DERIVATIVES MERCK PATENT GmbH (DE) 1992-05-06 EP disclosed