SCHEMBL8430344

SCHEMBL8430344

CC(N[C@@H](c1ccccc1)[C@@H](O)C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APAF1 O14727 1/20 0.49
ACP3 P15309 2/20 0.47
HSD17B10 Q99714 2/20 0.45
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
ASPH Q12797 1/20 0.43
KDM8 Q8N371 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 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
SCHEMBL8829781 1.00 APAF1 (0.49) APAF1ACP3HSD17B10LMNAMAPK1
SCHEMBL8430465 0.91 NPC1 (0.52) APAF1ACP3KDM4EKEAP1NFE2L2
SCHEMBL8829710 0.91 NPC1 (0.52) APAF1ACP3KDM4EKEAP1NFE2L2
SCHEMBL8430466 0.88 PHGDH (0.45) APAF1ACP3HSD17B10LMNAKMT2A
SCHEMBL8829768 0.88 PHGDH (0.45) APAF1ACP3HSD17B10LMNAKMT2A
SCHEMBL8829696 0.88 ALDH1A1 (0.48) APAF1ACP3MEN1KMT2AKDM4E
SCHEMBL8829775 0.87 CASR (0.48) ACP3KEAP1NFE2L2
SCHEMBL16870950 0.85 KMT2A (0.51) APAF1ACP3HSD17B10MEN1KMT2A
SCHEMBL16871126 0.85 KMT2A (0.51) APAF1ACP3HSD17B10MEN1KMT2A
SCHEMBL8902251 0.83 GAA (0.44) APAF1ACP3HSD17B10LMNAMEN1

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
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
US-5763628-A Process for the preparation of β-phenylisoserine and its analogues RHONE-POULENCE RORER S.A. (FR) 1998-06-09 US disclosed