SCHEMBL8995836

SCHEMBL8995836

CCC[C@H](N)C(=O)Nc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SPHK1 Q9NYA1 4/20 0.52
SPHK2 Q9NRA0 1/20 0.52
S1PR1 P21453 2/20 0.51
S1PR3 Q99500 2/20 0.51
LTA4H P09960 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL3762320 1.00 METAP2 (0.54) METAP2MEN1KMT2AALDH1A1MAPT
SCHEMBL5264997 0.90 MEN1 (0.61) METAP2MEN1KMT2AALDH1A1MAPT
SCHEMBL9267426 0.90 MEN1 (0.61) METAP2MEN1KMT2AALDH1A1MAPT
SCHEMBL11669294 0.87 SPHK1 (0.66) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL10791327 0.86 MEN1 (0.60) METAP2MEN1KMT2AALDH1A1MAPT
SCHEMBL5270163 0.86 MEN1 (0.60) METAP2MEN1KMT2AALDH1A1MAPT
SCHEMBL14209990 0.86 MEN1 (0.60) METAP2MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL10371302 0.84 MEN1 (0.58) METAP2MEN1KMT2AALDH1A1MAPT
SCHEMBL20243040 0.83 LTA4H (0.68) S1PR1S1PR3LTA4HGAAPOLB
SCHEMBL2522626 0.83 LTA4H (0.68) S1PR1S1PR3LTA4HGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0494716-B1 Enzyme-catalysed preparation of optically active carboxylic acids DSM NV (NL) 1996-08-28 EP disclosed
US-5248608-A Enzyme catalyzed stereospecific hdyrolysis DSM N.V. (NL) 1993-09-28 US disclosed
EP-0494716-A2 Enzyme-catalysed preparation of optically active carboxylic acids DSM N.V. (NL) 1992-07-15 EP disclosed