SCHEMBL8762969

SCHEMBL8762969

O=C([S])Oc1ccccc1CO

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
APOBEC3G Q9HC16 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
TSHR P16473 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
CXCL8 P10145 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL3342292 0.83 EPHX1 (0.53) EPHX1CYP4F2CYP4A11APOBEC3GL3MBTL1
SCHEMBL1395495 0.82 EPHX1 (0.51) EPHX1CYP4F2CYP4A11APOBEC3GL3MBTL1
SCHEMBL4787649 0.80 EPHX1 (0.50) EPHX1CYP4F2CYP4A11APOBEC3GL3MBTL1
SCHEMBL3628841 0.80 PTGS2 (0.53) EPHX1CYP4F2CYP4A11TSHRHPGD
SCHEMBL11295860 0.77 EPHX1 (0.48) EPHX1CYP4F2CYP4A11L3MBTL1TSHR
SCHEMBL16244704 0.77 EPHX1 (0.48) EPHX1L3MBTL1TSHRHPGDLMNA
SCHEMBL10670224 0.77 EPHX1 (0.48) EPHX1CYP4F2CYP4A11L3MBTL1THRA
SCHEMBL6668242 0.77 KMT2A (0.59) EPHX1TSHRLMNAGAAMEN1
SCHEMBL6219545 0.76 THRB (0.61) EPHX1CYP4F2CYP4A11L3MBTL1THRA
SCHEMBL2198922 0.76 TSHR (0.61) EPHX1TSHRLMNAALDH1A1

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-0599531-B1 Process for production of 2-acetylbenzo b thiophene IHARA CHEMICAL IND CO (JP) 1997-07-09 EP disclosed