SCHEMBL11816514

SCHEMBL11816514

CCOC(=O)c1c(O)c2cc(C3CCCCC3)ccc2n(CC)c1=O

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.65
▸ KDM4E B2RXH2 7/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 4/20 0.48
▸ HTT P42858 3/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 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
SCHEMBL11812543 1.00 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11817596 0.92 KDM4E (0.60) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11068656 0.80 ALDH1A1 (0.76) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL15966835 0.79 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL15966796 0.79 ALDH1A1 (0.83) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL10805347 0.79 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL10805754 0.77 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11818525 0.77 KDM5A (0.52) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL11814916 0.77 KDM5A (0.52) ALDH1A1KDM4ESMN1; SMN2LMNAMEN1
SCHEMBL10807501 0.76 ALDH1A1 (0.70) ALDH1A1KDM4ESMN1; SMN2LMNAHTT

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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