SCHEMBL8526953

SCHEMBL8526953

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.55
POLB P06746 1/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
LTA4H P09960 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
TP53 P04637 1/20 0.48
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
EPHX2 P34913 1/20 0.48
CDK9 P50750 1/20 0.48

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
SCHEMBL2311252 1.00 SPHK1 (0.55) SPHK1POLBMEN1ALDH1A1MAPT
SCHEMBL8526956 1.00 SPHK1 (0.55) SPHK1POLBMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL20569864 0.98 SPHK1 (0.54) SPHK1POLBMEN1ALDH1A1MAPT
SCHEMBL8607633 0.87 KMT2A (0.46) SPHK1POLBMEN1ALDH1A1MAPT
SCHEMBL29410403 0.85 POLB (0.53) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL10791327 0.83 MEN1 (0.60) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL5072176 0.83 MME (0.53) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL14209990 0.83 MEN1 (0.60) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL5270163 0.83 MEN1 (0.60) POLBMEN1ALDH1A1MAPTKMT2A
SCHEMBL3954076 0.83 LTA4H (0.67) POLBMEN1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383778-B1 AGONISTS AND ANTAGONISTS OF SPHINGOSINE-1-PHOSPHATE RECEPTORS UNIV VIRGINIA (US) 2009-10-21 EP disclosed
US-5773284-A REACTING GLYCINE AMIDE WITH BENZALDEHYDE DSM N.V. (NL) 1998-06-30 US disclosed
US-5773284-A REACTING GLYCINE AMIDE WITH BENZALDEHYDE DSM N.V. (NL) 1998-06-30 US disclosed
EP-0734453-A1 PHENYLSERINE AMIDES AND THE PREPARATION OF PHENYLSERINES/PHENYLSERINE AMIDES DSM N.V. (NL) 1996-10-02 EP disclosed
EP-0734453-A1 PHENYLSERINE AMIDES AND THE PREPARATION OF PHENYLSERINES/PHENYLSERINE AMIDES DSM N.V. (NL) 1996-10-02 EP disclosed
WO-1995016786-A1 PHENYLSERINE AMIDES AND THE PREPARATION OF PHENYLSERINES/PHENYLSERINE AMIDES DSM N.V. (NL) 1995-06-22 WO disclosed
WO-1995016786-A1 PHENYLSERINE AMIDES AND THE PREPARATION OF PHENYLSERINES/PHENYLSERINE AMIDES DSM N.V. (NL) 1995-06-22 WO disclosed