SCHEMBL11032602

SCHEMBL11032602

CC(=O)C(=NO)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.48
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
CA1 P00915 5/20 0.44
CA2 P00918 5/20 0.44
CA12 O43570 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
CA3 P07451 1/20 0.44
TYR P14679 1/20 0.44
DRD1 P21728 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44

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
SCHEMBL11491555 0.83 ALDH1A1 (0.50) MAPTLMNAPKMHPGDHTT
SCHEMBL11491554 0.83 ALDH1A1 (0.50) MAPTLMNAPKMHPGDHTT
SCHEMBL5742677 0.81 CES2 (0.48) MAPTLMNACA1CA2ALDH1A1
SCHEMBL5742673 0.81 CES2 (0.48) MAPTLMNACA1CA2ALDH1A1
SCHEMBL8720674 0.81 HTT (0.50) MAPTLMNAHTTCA1CA2
SCHEMBL8720671 0.81 HTT (0.50) MAPTLMNAHTTCA1CA2
SCHEMBL6839869 0.80 GAA (0.63) MAPTLMNACA1CA2CA12
SCHEMBL11457089 0.80 CPT1B (0.54) HSD17B1ESR1ESR2MAPTLMNA
SCHEMBL6839865 0.80 GAA (0.63) MAPTLMNACA1CA2CA12
SCHEMBL11457091 0.80 CPT1B (0.54) HSD17B1ESR1ESR2MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59048055-A None JP disclosed
JP-S5948055-A PROCESS FOR STABLE COLORING OF NOODLE NIPPON YOURIYOKUSO KK 1984-03-19 JP disclosed