SCHEMBL12813339

SCHEMBL12813339

CC1=C(C(=O)c2ccc(F)c(F)c2)C(C)(C)CCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.42
▸ CES2 O00748 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ RARG P13631 6/20 0.39
▸ RXRA P19793 6/20 0.39
▸ RARA P10276 5/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ RXRB P28702 2/20 0.36
▸ RXRG P48443 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35

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
SCHEMBL12813736 0.88 TAS1R3 (0.40) RARBRARGRXRARARAMEN1
SCHEMBL12813035 0.86 HTT (0.49) RARBRXRAMEN1KMT2ATAS1R3
SCHEMBL12813470 0.86 RARB (0.38) RARBCES2CES1RARGRXRA
SCHEMBL16499391 0.85 RARB (0.40) RARBRARGRXRARARA
SCHEMBL12813449 0.84 RARB (0.41) RARBCES2CES1RARGRXRA
SCHEMBL16499346 0.83 EPHX2 (0.40) RARBRARGRXRARARA
SCHEMBL12813501 0.83 HTT (0.45) RARBCES2CES1RARGRXRA
SCHEMBL12813534 0.82 MEN1 (0.41) RARBRARGRXRARARAMEN1
SCHEMBL12813417 0.82 CES2 (0.42) RARBCES2CES1MEN1KMT2A
SCHEMBL12813381 0.81 RARB (0.41) RARBCES2CES1RARGRXRA

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
WO-2012134971-A2 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS, INC. (US) 2012-10-04 — — WO disclosed
WO-2011155983-A1 OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE BIKAM PHARMACEUTICALS INC. (US) 2011-12-15 — — WO disclosed
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