SCHEMBL8411550

SCHEMBL8411550

COC1(SC)C=CC(C(=O)c2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
EPHX1 P07099 2/20 0.36
CES1 P23141 2/20 0.35
SRC P12931 1/20 0.35
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALOX15 P16050 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
CES2 O00748 1/20 0.33
HBB P68871 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL3041972 0.81 TSHR (0.41) TSHREPHX1CES1SRCKMT2A
SCHEMBL210844 0.81 TSHR (0.41) TSHREPHX1CES1SRCKMT2A
SCHEMBL3643052 0.80 TSHR (0.40) TSHREPHX1CES1SRCKMT2A
SCHEMBL2470208 0.79 EPHX1 (0.43) TSHREPHX1CES1KMT2AMEN1
SCHEMBL8488412 0.78 CES1 (0.35) TSHREPHX1CES1KMT2AMEN1
SCHEMBL10583727 0.78 TSHR (0.39) TSHREPHX1CES1SRCKMT2A
SCHEMBL8574301 0.78 TSHR (0.39) TSHREPHX1CES1SRCKMT2A
SCHEMBL7400357 0.77 TSHR (0.38) TSHREPHX1CES1SRCKMT2A
SCHEMBL5190188 0.77 TSHR (0.38) TSHREPHX1CES1SRCKMT2A
SCHEMBL10705123 0.76 EPHX1 (0.39) TSHREPHX1CES1SRCKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0934247-A1 PHOTOINITIATORS Lambson Fine Chemicals Limited (GB) 1999-08-11 EP disclosed
WO-1997049664-A1 PHOTOINITIATORS LAMBSON FINE CHEMICALS LIMITED (GB) 1997-12-31 WO disclosed