SCHEMBL22201701

SCHEMBL22201701

CCC1CC2CC(CC(=O)NCc3ccccc3)C1C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.46
EPHX2 P34913 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
FUCA1 P04066 1/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.43
SIRT5 Q9NXA8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43
P2RX7 Q99572 1/20 0.43

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
SCHEMBL22201700 0.76 GLA (0.47) NPC1RAB9AKMT2AEPHX2CYP3A4
SCHEMBL14963198 0.72 MC4R (0.62) MEN1KMT2ACYP3A4CYP2C19L3MBTL1
SCHEMBL9080 0.69 GAA (0.66) MEN1KMT2AHTTEPHX2CYP3A4
SCHEMBL20919864 0.69 TSHR (0.65) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL13118269 0.68 RAB9A (0.97) NPC1RAB9AMEN1KMT2AEPHX2
SCHEMBL23004983 0.68 RAB9A (0.73) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL13483850 0.68 NPC1 (0.52) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL3087061 0.67 GAA (0.73) RAB9AMEN1KMT2AHTTL3MBTL1
SCHEMBL14724834 0.67 RAB9A (1.00) NPC1RAB9AMEN1KMT2AEPHX2
SCHEMBL770934 0.67 CYP3A4 (0.87) MEN1KMT2AHTTEPHX2CYP3A4

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-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed