SCHEMBL9989804

SCHEMBL9989804

COC(=O)[C@H](COCc1cccc(OC)c1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TACR1 P25103 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
USP2 O75604 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41

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
SCHEMBL9989802 1.00 CHRM3 (0.48) CHRM3POLBNPC1RAB9AKDM4E
SCHEMBL9989100 0.89 PPARA (0.42) MEN1KMT2AALDH1A1MDM4MDM2
SCHEMBL9989103 0.89 PPARA (0.42) MEN1KMT2AALDH1A1MDM4MDM2
SCHEMBL1774142 0.88 PPARA (0.50) POLBMEN1KMT2AALDH1A1MDM4
SCHEMBL9989812 0.88 PPARA (0.50) POLBMEN1KMT2AALDH1A1MDM4
SCHEMBL9989473 0.84 NLRP3 (0.43) TACR1MEN1KMT2AALDH1A1MDM4
SCHEMBL9989472 0.84 NLRP3 (0.43) TACR1MEN1KMT2AALDH1A1MDM4
SCHEMBL17492041 0.84 MTNR1A (0.50) POLBKDM4EKMT2ATDP1ALDH1A1
SCHEMBL17492043 0.84 MTNR1A (0.50) POLBKDM4EKMT2ATDP1ALDH1A1
SCHEMBL9989446 0.80 PPARA (0.46) POLBNPC1RAB9AKDM4EMEN1

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
WO-2011159781-A2 BITTER TASTE MODULATORS SENOMYX, INC. (US) 2011-12-22 WO disclosed