SCHEMBL10851899

SCHEMBL10851899

CCOC(=O)c1cccc(C)c1NC(=O)/C=C1/SCC(=O)N1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.55
▸ ALDH1A1 P00352 6/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HSD17B10 Q99714 4/20 0.44
▸ GAA P10253 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ MAPT P10636 5/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KMT2A Q03164 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ POLB P06746 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ BLM P54132 1/20 0.37

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
SCHEMBL10851908 1.00 PSMD14 (0.55) PSMD14ALDH1A1TDP1HSD17B10GAA
SCHEMBL9813540 0.86 PSMD14 (0.60) PSMD14ALDH1A1TDP1HSD17B10GAA
SCHEMBL10853625 0.86 PSMD14 (0.60) PSMD14ALDH1A1TDP1HSD17B10GAA
SCHEMBL9813566 0.86 PSMD14 (0.61) PSMD14ALDH1A1TDP1HSD17B10GAA
SCHEMBL9813569 0.86 PSMD14 (0.61) PSMD14ALDH1A1TDP1HSD17B10GAA
SCHEMBL9813610 0.81 ALDH1A1 (0.71) PSMD14ALDH1A1TDP1GAAHPGD
SCHEMBL9813617 0.81 ALDH1A1 (0.71) PSMD14ALDH1A1TDP1GAAHPGD
Ralitoline SCHEMBL635346 0.81 PSMD14 (0.55) PSMD14ALDH1A1TDP1GAA
Ralitoline SCHEMBL9813595 0.81 PSMD14 (0.55) PSMD14ALDH1A1TDP1GAA
SCHEMBL10853522 0.80 ALDH1A1 (0.49) PSMD14ALDH1A1TDP1HSD17B10GAA

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-4563471-A CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1986-01-07 — — US disclosed
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