SCHEMBL18503386

SCHEMBL18503386

Cc1ccc(-c2ccc(C(=O)C3CCC(C)CC3)cc2F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP2D6 P10635 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.44
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
KDM1A O60341 4/20 0.41
FASN P49327 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM1 Q13255 1/20 0.40
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL18503388 0.92 MEN1 (0.47) MEN1KMT2ACYP2D6TDP1GAA
SCHEMBL18084742 0.81 KMT2A (0.58) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL14596908 0.80 KMT2A (0.64) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL18503387 0.77 TAS1R3 (0.39) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL18503389 0.77 NPC1 (0.44) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL18417145 0.77 HDAC1 (0.45) MEN1KMT2ACYP2D6GAAHSD11B1
SCHEMBL18503385 0.76 CPS1 (0.41) MEN1KMT2ACYP2D6HSD11B1NPC1
SCHEMBL18503384 0.76 NPC1 (0.49) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL17914339 0.75 KMT2A (0.58) MEN1KMT2ACYP2D6HSD11B1ALDH1A1
SCHEMBL14870737 0.74 HDAC1 (0.54) MEN1KMT2ACYP2D6HSD11B1ALDH1A1

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