SCHEMBL11296052

SCHEMBL11296052

O=C(O)CCCn1c(=O)ccc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.59
FABP5 Q01469 3/20 0.59
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 2/20 0.47
FABP3 P05413 1/20 0.46
CA12 O43570 1/20 0.46
BRD4 O60885 1/20 0.46
BRPF1 P55201 1/20 0.46
CA9 Q16790 1/20 0.46
KAT2B Q92831 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CTNNB1 P35222 1/20 0.45
APEX1 P27695 1/20 0.45
KMO O15229 1/20 0.44
CNR2 P34972 1/20 0.44
ADORA1 P30542 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
SCHEMBL3226989 0.90 ALDH1A1 (0.59) FABP4FABP5ALDH1A1KDM4EFABP3
SCHEMBL5659862 0.82 CA12 (0.50) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL4304286 0.80 APEX1 (0.59) ALDH1A1KDM4ECA12BRD4BRPF1
SCHEMBL6198418 0.79 ALDH1A1 (0.55) ALDH1A1KDM4ECA12BRD4BRPF1
SCHEMBL4101677 0.79 CA12 (0.50) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL4095757 0.79 CA12 (0.50) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL585623 0.78 CA12 (0.53) ALDH1A1KDM4ECA12BRD4BRPF1
SCHEMBL1037171 0.78 CA12 (0.49) FABP4FABP5ALDH1A1CA12BRD4
SCHEMBL9111783 0.78 CA12 (0.49) ALDH1A1CA12BRD4BRPF1CA9
SCHEMBL4532625 0.78 CA12 (0.53) ALDH1A1KDM4ECA12BRD4BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0017477-B1 SPIRO-QUINOLONE HYDANTOINS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION PFIZER INC. (US) 1982-01-06 EP disclosed
EP-0017477-A1 Spiro-quinolone hydantoins, pharmaceutical compositions containing them, and processes for their preparation PFIZER INC. (US) 1980-10-15 EP disclosed
US-4193996-A ALDOSE REDUCTASE INHIBITORS, THERAPEUTICS FOR DIABETES COMPLICATIONS PFIZER INC. (US) 1980-03-18 US disclosed