SCHEMBL8926410

SCHEMBL8926410

CCCCCCCCCCCCCCCCCCS(=O)(=O)c1c[c]ccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.42
THRA P10827 1/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
MCHR1 Q99705 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL28245872 1.00 THRB (0.42) THRBTHRACA12CA1CA2
SCHEMBL10606555 1.00 THRB (0.42) THRBTHRACA12CA1CA2
SCHEMBL8435774 0.86 PSIP1 (0.41) ALDH1A1CYP3A4CYP2C9CYP2C19PSIP1
SCHEMBL160580 0.81 PSIP1 (0.56) ALDH1A1PSIP1
SCHEMBL8590253 0.80 THRB (0.43) THRBTHRACA2MCHR1ALDH1A1
SCHEMBL11487812 0.80 THRB (0.49) THRBTHRACA2MCHR1ALDH1A1
SCHEMBL3201840 0.80 THRB (0.49) THRBTHRACA2MCHR1ALDH1A1
SCHEMBL3202798 0.80 THRB (0.49) THRBTHRACA2MCHR1ALDH1A1
SCHEMBL3201268 0.80 THRB (0.49) THRBTHRACA2MCHR1ALDH1A1
SCHEMBL3198233 0.80 THRB (0.49) THRBTHRACA2MCHR1ALDH1A1

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-5681689-A COUPLING WITH OXIDIZED COLOR DEVELOPER EASTMAN KODAK COMPANY (US) 1997-10-28 US disclosed