SCHEMBL8430372

SCHEMBL8430372

O=C(O)C(O)[C@H](NCc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.50
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MEP1B Q16820 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
BCHE P06276 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9427609 1.00 ACP3 (0.50) ACP3GABRB1GABRB2CYP1A2CYP2D6
SCHEMBL7385115 0.84 ACP3 (0.51) ACP3GABRB1GABRB2CYP1A2CYP2C19
SCHEMBL2491875 0.84 KMT2A (0.57) ACP3CYP2C19MEN1KMT2ALMNA
SCHEMBL1305451 0.81 ACP3 (0.53) ACP3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14099897 0.81 ACP3 (0.53) ACP3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7189369 0.81 ACP3 (0.53) ACP3MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5269591 0.80 AOC3 (0.55) ACP3CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL13191170 0.80 AOC3 (0.55) ACP3CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL17314012 0.79 SIGMAR1 (0.52) ACP3CYP1A2CYP2D6CYP2C19MEN1
SCHEMBL6462875 0.79 GABRB1 (0.51) ACP3GABRB1GABRB2CYP1A2CYP2D6

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
US-5939561-A Process for the preparation of β-phenylisoserine and β-lactam and their analogues RHONE-POULENCE RORER S.A. (FR) 1999-08-17 US disclosed
EP-0630365-B1 METHOD FOR PREPARING BETA-PHENYLISOSERINE AND ANALOGUES THEREOF RHONE POULENC RORER SA (FR) 1997-10-22 EP disclosed
US-5608102-A Process for the preparation of β-phenylisoserine and its analogues RHONE-POULENC RORER S.A. (FR) 1997-03-04 US disclosed