SCHEMBL22811569

SCHEMBL22811569

C=C(/C=C\CC)NC(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
AKT1 P31749 2/20 0.33
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PPARA Q07869 1/20 0.31
MAPT P10636 3/20 0.31
EPHX1 P07099 1/20 0.31
FFAR1 O14842 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
GPR52 Q9Y2T5 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL4735642 0.81 HCAR2 (0.35) OXER1ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL4735646 0.81 HCAR2 (0.35) OXER1ALDH1A1KEAP1NFE2L2HCAR2
SCHEMBL20629281 0.80
SCHEMBL21318952 0.79 ALDH1A1 (0.32) OXER1ALDH1A1PPARAMAPTFFAR1
SCHEMBL20442006 0.77 HCAR2 (0.35) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL21562896 0.72
SCHEMBL20442005 0.72
SCHEMBL22488049 0.69
SCHEMBL21190234 0.69
SCHEMBL21945846 0.69

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
EP-3071203-B1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-12-23 EP disclosed