SCHEMBL20587741

SCHEMBL20587741

O=P(O)(O)[C@H](Cc1ccccc1)c1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 9/20 0.65
LAP3 P28838 5/20 0.51
ANPEP P15144 4/20 0.51
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
POLB P06746 1/20 0.42
ERAP1 Q9NZ08 2/20 0.41
ERAP2 Q6P179 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
SCHEMBL23357456 0.79 PTPN2 (0.50) ACP3LAP3PTPN2PTPN1POLB
SCHEMBL28174182 0.78 ACP3 (1.00) ACP3LAP3ANPEP
SCHEMBL5440489 0.75 POLB (0.52) POLB
SCHEMBL1838934 0.74 POLB (0.50) POLB
SCHEMBL20587775 0.73 TSHR (0.44) ACP3PTPN2PTPN1
SCHEMBL8938032 0.73 ACP3 (0.65) ACP3LAP3ANPEPERAP1
SCHEMBL777580 0.72 ACP3 (0.53) ACP3LAP3ANPEP
SCHEMBL5666435 0.71 SRC (0.52) ACP3LAP3ANPEPPTPN2PTPN1
SCHEMBL7742563 0.71 LAP3 (0.64) ACP3LAP3ANPEPERAP1ERAP2
SCHEMBL7158870 0.71 LAP3 (0.64) ACP3LAP3ANPEPERAP1ERAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018232315-A1 CHIRAL N-HETEROCYCLIC PHOSPHORODIAMIDIC ACIDS (NHPAS) AND DERIVATIVES AS NOVEL BRONSTED ACID CATALYSTS THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2018-12-20 WO disclosed