SCHEMBL11816205

SCHEMBL11816205

CCOC(=O)c1c(O)c2cc(OC)c(C3CCCCC3)cc2[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 1/20 0.47
▸ KDM5B Q9UGL1 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ APLNR P35414 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL11383772 0.83 KDM4E (0.57) KDM5AKDM5BKDM4EALDH1A1HSD17B10
SCHEMBL11818525 0.80 KDM5A (0.52) KDM5AKDM5BKDM4EALDH1A1LMNA
SCHEMBL11814916 0.80 KDM5A (0.52) KDM5AKDM5BKDM4EALDH1A1LMNA
SCHEMBL11817456 0.80 KDM5A (0.55) KDM5AKDM5BKDM4EALDH1A1LMNA
SCHEMBL11818406 0.79 ALDH1A1 (0.51) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL31422810 0.78 KDM5A (0.57) KDM5AKDM5BKDM4EALDH1A1LMNA
SCHEMBL20504600 0.75 KDM4E (0.64) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL11821942 0.72 NPSR1 (0.47) KDM4EALDH1A1TP53MAPTKMT2A
SCHEMBL11375801 0.71 KMT2A (0.61) KDM4EALDH1A1HSD17B10MAPK1HPGD
SCHEMBL13312806 0.71 KDM5A (0.59) KDM5AKDM5BKDM4EALDH1A1HSD17B10

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-3960868-A Derivatives of 6,7 or 8 cycloalkyl 4-oxo quinoline 3 carboxylic acid CIBA-GEIGY CORPORATION (US) 1976-06-01 — — US disclosed
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