SCHEMBL5264997

SCHEMBL5264997

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
SPHK1 Q9NYA1 6/20 0.58
CHEK1 O14757 1/20 0.58
SPHK2 Q9NRA0 1/20 0.57
S1PR1 P21453 5/20 0.55
S1PR3 Q99500 5/20 0.55
HSD17B10 Q99714 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL9267426 1.00 MEN1 (0.61) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL11669294 0.94 SPHK1 (0.66) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL13107654 0.91 TAAR1 (0.61) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL8995836 0.90 METAP2 (0.54) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL3762320 0.90 METAP2 (0.54) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL23454623 0.84 SPHK1 (0.59) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL6290986 0.84 SPHK1 (0.59) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL13820164 0.84 LTA4H (0.70) SPHK1HDAC2LTA4H
SCHEMBL7099035 0.83 MEN1 (0.78) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL26266218 0.83 SPHK1 (0.68) SPHK1CHEK1SPHK2S1PR1S1PR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241602-B2 Nucleic acid sequences encoding enantioselective amidases DSM IP ASSETS B.V. (NL) 2007-07-10 US disclosed
EP-1409688-B1 NUCLEIC ACID SEQUENCES ENCODING ENANTIOSELECTIVE AMIDASES DSM IP ASSETS BV (NL) 2007-06-20 EP disclosed
US-20050079595-A1 Nucleic acid sequences encoding enantioselective amidases DSM IP ASSETS B.V. (NL) 2005-04-14 US disclosed
EP-1409688-A2 NUCLEIC ACID SEQUENCES ENCODING ENANTIOSELECTIVE AMIDASES DSM IP Assets B.V. (NL) 2004-04-21 EP disclosed
WO-2003010312-A2 NUCLEIC ACID SEQUENCES ENCODING ENANTIOSELECTIVE AMIDASES DSM IP ASSETS B.V. (NL) 2003-02-06 WO disclosed