SCHEMBL11817596

SCHEMBL11817596

CCOC(=O)c1c(O)c2ccc(C3CCCCC3)cc2n(CC)c1=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.60
▸ ALDH1A1 P00352 6/20 0.56
▸ LMNA P02545 3/20 0.48
▸ RECQL P46063 1/20 0.47
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ GSK3B P49841 2/20 0.40

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
SCHEMBL11812543 0.92 ALDH1A1 (0.65) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL11816514 0.92 ALDH1A1 (0.65) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL15966860 0.79 ALDH1A1 (0.82) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL11826450 0.79 MEN1 (0.53) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL11817456 0.77 KDM5A (0.55) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL2383886 0.76 KDM4E (1.00) KDM4EALDH1A1LMNARECQLHTT
SCHEMBL25942765 0.74 TSHR (0.44) KDM4EALDH1A1LMNAHTTMEN1
SCHEMBL11814916 0.74 KDM5A (0.52) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL25942837 0.74 TSHR (0.44) KDM4EALDH1A1LMNAHTTMEN1
SCHEMBL11818525 0.74 KDM5A (0.52) KDM4EALDH1A1LMNASMN1; SMN2MEN1

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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