SCHEMBL30715529

SCHEMBL30715529

O=[N+]([O-])c1ccc2c(c1)C(O)=C(F)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 2/20 0.42
PGR P06401 2/20 0.42
AR P10275 2/20 0.42
NR3C2 P08235 1/20 0.42
TLR2 O60603 2/20 0.42
TLR1 Q15399 2/20 0.42
APP P05067 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
BAX Q07812 2/20 0.40
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
RAB9A P51151 1/20 0.40
GPR35 Q9HC97 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1429100 0.76 MEN1 (0.51) NR3C1PGRARNR3C2APP
SCHEMBL30715507 0.74 NOTUM (0.44) PGRARMEN1MAPTKMT2A
SCHEMBL30715533 0.73 MAPT (0.40) PGRMAPK1MEN1MAPTKMT2A
SCHEMBL30715517 0.73 APP (0.47) NR3C1PGRARAPPALDH1A1
SCHEMBL2102526 0.73 ALDH1A1 (0.46) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL10963390 0.72 MEN1 (0.47) NR3C1PGRARNR3C2APP
SCHEMBL14502645 0.72 ALDH1A1 (0.44) NR3C1PGRARNR3C2ALDH1A1
SCHEMBL31561630 0.71 CA9 (0.44) TLR2TLR1APPALDH1A1MAPK1
SCHEMBL9377316 0.71 CYP3A4 (0.55) NR3C1PGRARNR3C2APP
SCHEMBL30715522 0.70 MAPT (0.50) PGRAPPALDH1A1MAPK1MEN1

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
CN-117126126-A Method for asymmetrically synthesizing adjacent halohydrin compound 凯特立斯(深圳)科技有限公司 2023-11-28 CN disclosed