SCHEMBL9745230

SCHEMBL9745230

CCC(=O)ON1C(C)(C)CC(OC(=O)CCCCC(=O)OC2CC(C)(C)N(OC(=O)CC)C(C)(C)C2)CC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
NAAA Q02083 2/20 0.43
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX2 P34913 3/20 0.34
PRKCA P17252 5/20 0.33

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
SCHEMBL10430889 0.94 NAAA (0.52) KMT2AMEN1GAANAAATSHR
SCHEMBL9440233 0.94 KMT2A (0.44) KMT2AMEN1GAANAAATSHR
SCHEMBL1138686 0.88 NAAA (0.55) KMT2AMEN1GAANAAATSHR
SCHEMBL9440185 0.86 TSHR (0.55) KMT2AMEN1GAANAAATSHR
SCHEMBL13129124 0.86 TSHR (0.43) KMT2AMEN1GAATSHRALDH1A1
SCHEMBL1948723 0.85 TSHR (0.53) KMT2AMEN1GAANAAATSHR
SCHEMBL12660726 0.84 NAAA (0.50) KMT2AMEN1GAANAAATSHR
SCHEMBL9400337 0.84 NAAA (0.54) KMT2AMEN1GAANAAATSHR
SCHEMBL9244115 0.84 KMT2A (0.45) KMT2AMEN1GAANAAATSHR
SCHEMBL1138932 0.83 NAAA (0.52) KMT2AMEN1GAANAAATSHR

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-5112890-A Piperidine compound with oxygen bonded to ring nitrogen CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed