SCHEMBL9003852

SCHEMBL9003852

C[C@H](C(=O)C[C@H](N)C(=O)OCc1ccccc1)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC15A1 P46059 2/20 0.47
ALDH1A1 P00352 2/20 0.44
LAP3 P28838 4/20 0.42
ANPEP P15144 1/20 0.42
IDO1 P14902 1/20 0.42
ELANE P08246 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9003846 1.00 SLC15A1 (0.47) SLC15A1ALDH1A1LAP3ANPEPIDO1
SCHEMBL6432522 0.80 LAP3 (0.49) ALDH1A1LAP3ANPEPIDO1TSHR
SCHEMBL28796023 0.80 LAP3 (0.49) ALDH1A1LAP3ANPEPIDO1TSHR
SCHEMBL15198796 0.78 ALDH1A1 (0.58) SLC15A1ALDH1A1LAP3IDO1ELANE
SCHEMBL15886220 0.78 ALDH1A1 (0.58) SLC15A1ALDH1A1LAP3IDO1ELANE
SCHEMBL18091192 0.78 ALDH1A1 (0.58) SLC15A1ALDH1A1LAP3IDO1ELANE
SCHEMBL355730 0.78 ALDH1A1 (0.53) SLC15A1ALDH1A1ANPEPIDO1
SCHEMBL353695 0.78 ALDH1A1 (0.53) SLC15A1ALDH1A1ANPEPIDO1
SCHEMBL728728 0.78 ALDH1A1 (0.53) SLC15A1ALDH1A1ANPEPIDO1
Methyl Alcohol SCHEMBL28469240 0.78 S1PR2 (0.48) ALDH1A1LAP3ANPEPIDO1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538958-A NMDA antagonists MERRELL PHARMACEUTICALS INC. (US) 1996-07-23 US disclosed
US-5500419-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1996-03-19 US disclosed
EP-0418863-B1 NMDA antagonists MERRELL DOW PHARMA (US) 1995-01-04 EP disclosed
US-5326756-A R-4-oxo-5 phosphononorvaline used as NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1994-07-05 US disclosed
US-5095009-A NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-10 US disclosed
EP-0418863-A2 NMDA antagonists MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-27 EP disclosed