SCHEMBL22973709

SCHEMBL22973709

CC(Cc1ccc(CBr)cc1)P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.41
LAP3 P28838 3/20 0.39
ANPEP P15144 1/20 0.39
PTPRC P08575 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PGK1 P00558 2/20 0.35
PGK2 P07205 2/20 0.35
TAAR1 Q96RJ0 2/20 0.34
SLC6A2 P23975 1/20 0.34
LMNA P02545 1/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX5 P09917 1/20 0.34
RARB P10826 1/20 0.34
CYP2C9 P11712 1/20 0.34
ADRB3 P13945 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL3889192 0.82 MMP8 (0.44) ACP3LAP3ANPEPPGK1PGK2
SCHEMBL8341042 0.80 LAP3 (0.60) ACP3LAP3ANPEPTAAR1SLC6A2
SCHEMBL21408350 0.75 POLB (0.39) LMNA
SCHEMBL29108968 0.75 LAP3 (0.35) ACP3LAP3ANPEPPTPRCCES2
SCHEMBL3364798 0.73 PGK1 (0.55) ACP3CES2CES1PGK1PGK2
SCHEMBL1305821 0.72 PTGS1 (0.47) LMNAALBESR1ALOX5RARB
SCHEMBL22973753 0.72 ACP3 (0.35) ACP3LAP3ANPEPPTPRCALOX5
SCHEMBL4632775 0.71 ESR1 (0.42) CES2CES1LMNAALBESR1
SCHEMBL22973715 0.69 GRIN2D (0.47) CES2CES1
SCHEMBL4056413 0.69 TRPA1 (0.42) CES2CES1TAAR1SLC6A2LMNA

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
EP-3778612-A1 PHOSPHATE DERIVATIVES AND USE THEREOF Zhu, Qing (CN) 2021-02-17 EP disclosed