SCHEMBL9744632

SCHEMBL9744632

CCOC(=O)[C@H]1NC(=O)C[C@@H]1CC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALOX12 P18054 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB2 P05107 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34

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
SCHEMBL7512566 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9745679 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL7449138 1.00 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL3505730 0.83 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL3505731 0.83 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9786445 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9786423 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9786424 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9786427 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL9786443 0.81 ALDH1A1 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA

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-5151497-A Central nervous system disorders, antidepressants, epilepsy and cognition activators JAPAN TOBACCO INC. (JP) 1992-09-29 US disclosed