SCHEMBL9159002

SCHEMBL9159002

COC(=O)Cc1cc(N)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 2/20 0.44
RAD52 P43351 1/20 0.44
KDM4E B2RXH2 2/20 0.44
TNF P01375 1/20 0.43
CYP3A4 P08684 1/20 0.42
CTSD P07339 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 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
SCHEMBL1624350 0.87 GAA (0.61) ALDH1A1GAAMAPTHTTTSHR
SCHEMBL2190989 0.86 DPP4 (0.49) HSD17B10ALDH1A1GAAMAPTHTT
SCHEMBL2561432 0.85 HSD17B10 (0.46) HSD17B10ALDH1A1GAAMAPTHTT
SCHEMBL28142858 0.85 HSD17B10 (0.50) HSD17B10ALDH1A1GAAMAPTHTT
SCHEMBL8144382 0.84 ALDH1A1 (0.47) HSD17B10ALDH1A1GAAMAPTHTT
SCHEMBL8550870 0.84 ADRA1A (0.45) ALDH1A1GAAMAPTHTTTSHR
SCHEMBL4405092 0.84 HSD17B10 (0.46) HSD17B10ALDH1A1GAAMAPTHTT
SCHEMBL14336221 0.83 ALDH1A1 (0.46) HSD17B10ALDH1A1GAAMAPTHTT
SCHEMBL2560656 0.82 KDM4E (0.49) HSD17B10ALDH1A1MAPTKDM4ECYP3A4
SCHEMBL13025363 0.81 ALDH1A1 (0.45) HSD17B10ALDH1A1GAAMAPTHTT

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed