SCHEMBL18503385

SCHEMBL18503385

Cc1ccc(-c2ccc(C(=O)C3CCC(C)CC3)c(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 1/20 0.41
CHRM4 P08173 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP2D6 P10635 1/20 0.39
MCL1 Q07820 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
HSD11B1 P28845 1/20 0.36
RARG P13631 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL18503387 0.80 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL18503384 0.78 NPC1 (0.49) MEN1KMT2ACYP2D6HSD11B1NPC1
SCHEMBL18084742 0.77 KMT2A (0.58) MEN1KMT2ACYP2D6HSD11B1NPC1
SCHEMBL18503386 0.76 MEN1 (0.47) MEN1KMT2ACYP2D6HSD11B1NPC1
SCHEMBL10052771 0.74 MCL1 (0.61) CHRM4MCL1CYP1A2MAPTCYP2C19
SCHEMBL18503388 0.73 MEN1 (0.47) MEN1KMT2ACYP2D6HSD11B1NPC1
Hydrochloric Acid SCHEMBL11617261 0.72 MEN1 (0.60) CPS1MEN1KMT2ACYP2D6
SCHEMBL6141006 0.72 L3MBTL1 (0.61) CPS1MEN1KMT2AMAPTHSD11B1
SCHEMBL14596908 0.72 KMT2A (0.64) MEN1KMT2ACYP2D6HSD11B1NPC1
SCHEMBL13408582 0.72 DGAT1 (0.37) CYP1A2MAPTCYP2C19CNR1CNR2

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