SCHEMBL8561232

SCHEMBL8561232

COC(=O)c1ccc(Cc2ccccc2C(O)=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
MAPT P10636 5/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MGLL Q99685 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL70372 0.88 TSHR (0.57) TSHRMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL8561229 0.84 TSHR (0.53) TSHRMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL5567652 0.82 TSHR (0.71) TSHRMAPTALDH1A1CYP1A2CYP3A4
Thiobenzoic Acid SCHEMBL23174594 0.81 ALDH1A1 (0.50) TSHRMAPTALDH1A1CYP1A2CYP3A4
SCHEMBL8992964 0.80 MAPT (0.56) TSHRMAPTTDP1MEN1KMT2A
SCHEMBL905244 0.80 ALDH1A1 (0.63) TSHRMAPTALDH1A1CYP1A2CYP3A4
Dimethyl Phthalate SCHEMBL19953478 0.80 LOXL2 (0.58) TSHRMAPTALDH1A1L3MBTL1POLB
SCHEMBL6158387 0.80 TSHR (0.67) TSHRMAPTALDH1A1MGLLL3MBTL1
SCHEMBL5232709 0.80 ALDH1A1 (0.63) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL2579068 0.79 KEAP1 (0.56) TSHRMAPTALDH1A1CYP1A2CYP3A4

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
US-5739228-A Polymerization using thionoester compounds as chain transfer agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1998-04-14 US claimed
US-5739228-A Polymerization using thionoester compounds as chain transfer agents COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1998-04-14 US disclosed