SCHEMBL8625625

SCHEMBL8625625

[CH]=C(c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.60
CES1 P23141 2/20 0.60
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 1/20 0.45
NR4A1 P22736 1/20 0.45
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 1/20 0.44
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
SRD5A2 P31213 1/20 0.43
PTGS2 P35354 2/20 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
SCHEMBL284994 0.84 CES1 (0.47) CES2CES1TSHRALOX15L3MBTL1
SCHEMBL2462551 0.84 CES1 (0.47) CES2CES1TSHRALOX15L3MBTL1
SCHEMBL8346950 0.79 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL14119105 0.79 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL33953 0.79 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL9971796 0.79 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL14119103 0.79 CES2 (0.65) CES2CES1TSHRALOX15CYP1A2
SCHEMBL9099733 0.75 CES2 (0.60) CES2CES1TSHRMAPTMEN1
SCHEMBL912515 0.75 CES2 (1.00) CES2CES1TSHRALOX15L3MBTL1
SCHEMBL6493746 0.75 CES2 (0.60) CES2CES1TSHRALOX15CYP1A2

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-0657422-B1 Naphthyloxyacetic acid derivatives as PGE2 agonists and antagonists ONO PHARMACEUTICAL CO (JP) 1998-06-10 EP disclosed