SCHEMBL19590946

SCHEMBL19590946

CCCC1=C(C(=O)OCC)C(c2ccc(CC)cc2)NC(O)N1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
MAPK1 P28482 1/20 0.50
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 3/20 0.41
CACNA1D Q01668 1/20 0.41
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.39
DHFR P00374 1/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL10113271 0.81 HSD17B10 (0.74) HSD17B10MAPK1ADORA2AADORA2BALDH1A1
SCHEMBL19590932 0.80 ALDH1A1 (0.55) MAPK1ALDH1A1CA12CA1CA2
SCHEMBL10113267 0.70 HSD17B10 (0.72) HSD17B10MAPK1ADORA2AADORA2BPOLB
SCHEMBL10113385 0.68 DHFR (0.79) ADORA2BALDH1A1LMNAPOLBCA12
SCHEMBL5348761 0.68 ALDH1A1 (0.47) HSD17B10ALDH1A1LMNAPOLBTSHR
SCHEMBL5342395 0.66 ALDH1A1 (0.61) MAPK1ALDH1A1LMNAPOLBTSHR
SCHEMBL10113275 0.64 ALDH1A1 (0.80) MAPK1ALDH1A1CA12CA1CA2
SCHEMBL2999682 0.64 ADORA2B (0.69) HSD17B10MAPK1ADORA2AADORA2BALDH1A1
SCHEMBL2994443 0.64 ADORA2B (0.75) HSD17B10MAPK1ADORA2AADORA2B
SCHEMBL8885844 0.63 CACNA1D (0.57) HSD17B10MAPK1ADORA2AADORA2BALDH1A1

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-9815838-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2017-11-14 US disclosed