SCHEMBL18503387

SCHEMBL18503387

Cc1ccc(-c2ccc(C(=O)C3CCC(C)CC3)c(F)c2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HSD11B1 P28845 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2D6 P10635 1/20 0.35
LMNA P02545 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
S1PR1 P21453 1/20 0.33
S1PR5 Q9H228 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PTGS2 P35354 1/20 0.32
FASN P49327 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL19985633 0.83 HPGD (0.42) TAS1R3TAS1R1TAS1R2HSD11B1LMNA
SCHEMBL12205092 0.80 HPGD (0.46) TAS1R3TAS1R1TAS1R2HSD11B1MEN1
SCHEMBL18503385 0.80 CPS1 (0.41) TAS1R3TAS1R1TAS1R2HSD11B1MEN1
SCHEMBL18503389 0.78 NPC1 (0.44) HSD11B1MEN1KMT2ACYP2D6NPC1
SCHEMBL18503386 0.77 MEN1 (0.47) HSD11B1MEN1KMT2ACYP2D6LMNA
SCHEMBL14866526 0.76 HPGD (0.43) TAS1R3TAS1R1TAS1R2HSD11B1MEN1
SCHEMBL18503388 0.75 MEN1 (0.47) HSD11B1MEN1KMT2ACYP2D6NPC1
SCHEMBL9419340 0.75 SMN1; SMN2 (0.47) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL26997775 0.74 GRM1 (0.36) TAS1R3TAS1R1TAS1R2LMNACNR1
SCHEMBL4549765 0.74 ESR2 (0.47) CYP2D6LMNACNR1NPC1RAB9A

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
US-20170045765-A1 LCD DEVICE DIC CORPORATION (JP) 2017-02-16 US disclosed