SCHEMBL8709209

SCHEMBL8709209

O=C(O)C(O)c1ccc2sccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.45
WNT3A P56704 2/20 0.45
CYP2A6 P11509 2/20 0.43
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
PTPRC P08575 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NAMPT P43490 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
HTR2C P28335 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL631350 0.84 CTNNB1 (0.46) CTNNB1WNT3ACYP2A6PTPRCPTPN6
SCHEMBL9087585 0.84 CTNNB1 (0.40) CTNNB1WNT3ACYP2A6BLMNPSR1
SCHEMBL9087590 0.84 CTNNB1 (0.40) CTNNB1WNT3ACYP2A6BLMNPSR1
SCHEMBL26619325 0.83 AKR1C3 (0.53) CTNNB1WNT3ALMNATSHRKDM4E
SCHEMBL11190893 0.80 AKR1C3 (0.53) CTNNB1WNT3ACYP2A6TSHRPTPRC
SCHEMBL12473739 0.78 CYP2A6 (0.42) CTNNB1WNT3ACYP2A6PTPRCPTPN6
SCHEMBL12653206 0.78 CTNNB1 (0.41) CTNNB1WNT3ACYP2A6PTPRCPTPN6
SCHEMBL27706823 0.77 CYP2A6 (0.43) CTNNB1WNT3ACYP2A6PTPRCPTPN6
SCHEMBL19405853 0.77 UGT2B7 (0.50) CTNNB1WNT3ACYP2A6PTPRCPTPN6
SCHEMBL28159357 0.77 CYP2A6 (0.43) CTNNB1WNT3ACYP2A6PTPRCPTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998043967-A1 PROCESS FOR PRODUCING 2-(BENZO[b]THIOPHEN-5-YL)-2-HYDROXYACETIC ACID DERIVATIVES, OPTICALLY ACTIVE COMPOUNDS THEREOF, OR SALTS OF BOTH TOYAMA CHEMICAL CO., LTD. (JP) 1998-10-08 WO disclosed
EP-0565965-B1 Benzo b thiophen-5-yl derivative and process for producing the same TOYAMA CHEMICAL CO LTD (JP) 1996-11-13 EP disclosed
US-5380878-A Benzo[b]thiophen-5-yl derivative and process for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 1995-01-10 US disclosed
EP-0565965-A2 Benzo b thiophen-5-yl derivative and process for producing the same TOYAMA CHEMICAL CO., LTD. (JP) 1993-10-20 EP disclosed