SCHEMBL9538199

SCHEMBL9538199

CCOC(=O)C(CCCc1cc2cc(OCC)c(OCC)cc2s1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 6/20 0.40
MAPK1 P28482 4/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
STING1 Q86WV6 5/20 0.38
PTPN1 P18031 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL9541062 0.79 STING1 (0.36) KMT2ATSHRALDH1A1STING1POLB
SCHEMBL9538461 0.77 STING1 (0.47) L3MBTL1TSHRSTING1
SCHEMBL9540466 0.77 PPARG (0.40) TDP1TSHRSTING1POLB
SCHEMBL9537166 0.76 STING1 (0.33) KMT2ATSHRALDH1A1STING1
SCHEMBL9540660 0.74 CYP3A4 (0.39) TSHRSTING1
SCHEMBL9538537 0.73 STING1 (0.43) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL9538258 0.72 CYP2A6 (0.44) KMT2AMAPK1TSHRALDH1A1STING1
SCHEMBL9541014 0.72 ALDH1A1 (0.36) TDP1MEN1KMT2AMAPK1TSHR
SCHEMBL9541789 0.70 TSHR (0.40) KMT2ATSHRSTING1
SCHEMBL9540989 0.69 STING1 (0.56) STING1

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
WO-1993005033-A1 BENZO[b]THIOPHENE DERIVATES, PROCESS FOR PRODUCING THE SAME AND MEDICAMENTS CONTAINING THEM BOEHRINGER MANNHEIM GMBH (DE) 1993-03-18 WO disclosed