SCHEMBL17150201

SCHEMBL17150201

CCOc1ccc(Cl)nc1CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
S1PR4 O95977 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
KDM4E B2RXH2 2/20 0.37
DGAT1 O75907 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
RORC P51449 1/20 0.36
AGPAT2 O15120 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL14772309 0.85 S1PR4 (0.41) NPC1POLBRAB9AS1PR4ALDH1A1
SCHEMBL264251 0.84 KDM4E (0.53) NPC1RAB9AS1PR4TSHRALDH1A1
SCHEMBL16094497 0.77 ALDH1A1 (0.41) RAB9AS1PR4TSHRALDH1A1HPGD
SCHEMBL27361645 0.76 MAPT (0.40) TSHRALDH1A1HPGDKDM4EMAPK1
SCHEMBL17150153 0.75 TRPV3 (0.38) ALDH1A1HPGDS1PR1S1PR3KDM4E
SCHEMBL18149437 0.74 KMT2A (0.43) NPC1POLBRAB9ATSHRALDH1A1
SCHEMBL2893830 0.72 TTR (0.46) POLBKDM4EHSD17B10KCNQ3KCNQ2
SCHEMBL31172660 0.71 PDE4D (0.42) POLBTSHRALDH1A1HPGDS1PR1
SCHEMBL17521665 0.71 S1PR4 (0.55) S1PR4ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL29738152 0.71 ALDH1A1 (0.45) NPC1POLBRAB9AALDH1A1HPGD

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-2015152368-A1 OXAZOLIDINONE AND OXAZINANONE DERIVATIVES 大正製薬株式会社 2015-10-08 WO disclosed