SCHEMBL9328928

SCHEMBL9328928

CC[C@@H](C(C)=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RIPK1 Q13546 2/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSPO P30536 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
SCHEMBL842374 0.87 LMNA (0.49) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL841079 0.87 LMNA (0.49) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL9331288 0.86 MEN1 (0.46) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL9328442 0.86 HPGD (0.50) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL3854880 0.81 EPOR (0.54) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL3854879 0.81 EPOR (0.54) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL3632576 0.81 L3MBTL1 (0.54) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL28162835 0.81 LMNA (0.50) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL842164 0.80 ALDH1A1 (0.50) KMT2AMEN1LMNARAB9AL3MBTL1
SCHEMBL842166 0.80 ALDH1A1 (0.50) KMT2AMEN1LMNARAB9AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0387605-B1 Process for the stereoselective preparation of optically active S,S or R,R-beta-aminoalcohols BAYER AG (DE) 1994-03-30 EP disclosed
EP-0387605-A2 Process for the stereoselective preparation of optically active S,S or R,R-beta-aminoalcohols BAYER AG (DE) 1990-09-19 EP disclosed