SCHEMBL9003719

SCHEMBL9003719

COC(=O)C(C(=O)OC)=C(C[S+](c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ESRRB O95718 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
CES1 P23141 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
POLB P06746 4/20 0.37
SRC P12931 1/20 0.37
NPC1 O15118 1/20 0.36
LMNA P02545 2/20 0.36
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9003470 0.84 ESRRB (0.33) TSHRESRRBKMT2APKMSMN1; SMN2
Perchlorate SCHEMBL9003577 0.83 ESRRG (0.42) KMT2ASMN1; SMN2TDP1MEN1MAPK1
SCHEMBL27941245 0.80 TSHR (0.48) TSHRESRRBHPGDKMT2ASMN1; SMN2
SCHEMBL27952638 0.77 CES2 (0.49) TSHRESRRBHPGDKMT2ASMN1; SMN2
SCHEMBL3205130 0.75 POLB (0.46) TSHRESRRBHPGDKMT2ASMN1; SMN2
SCHEMBL27941257 0.75 ESRRB (0.47) TSHRESRRBHPGDKMT2ASMN1; SMN2
SCHEMBL27941300 0.73 CES2 (0.53) CES1CES2
SCHEMBL27952633 0.72 CES2 (0.54) CES1CES2
SCHEMBL24704036 0.71 TSHR (0.56) TSHRESRRBHPGDKMT2APKM
SCHEMBL1095578 0.71 TDP1 (0.54) TSHRHPGDKMT2ASMN1; SMN2TDP1

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
US-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed