SCHEMBL10596208

SCHEMBL10596208

CCCCCCC(CCCCCC)CCCS(=O)(=O)c1cc[c]c(S(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 10/20 0.34
NR1I2 O75469 1/20 0.33
THRA P10827 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
MMP13 P45452 1/20 0.32
MCHR1 Q99705 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
PNMT P11086 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SERPINE1 P05121 1/20 0.30
GSR P00390 1/20 0.30
TXNRD1 Q16881 1/20 0.30

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
SCHEMBL9319789 0.90 THRB (0.40) THRBTHRAMCHR1SERPINE1
SCHEMBL9320461 0.90 THRB (0.40) THRBTHRAMCHR1SERPINE1
SCHEMBL9319769 0.90 THRB (0.40) THRBTHRAMCHR1SERPINE1
SCHEMBL9322186 0.81 THRB (0.41) THRBTHRAMCHR1SERPINE1
SCHEMBL9320177 0.79 THRB (0.36) THRBTHRAMCHR1SERPINE1
SCHEMBL9320244 0.79 THRB (0.36) THRBTHRAMCHR1SERPINE1
SCHEMBL9320168 0.79 THRB (0.36) THRBTHRAMCHR1SERPINE1
SCHEMBL9769332 0.73 MMP1 (0.39) MMP13
SCHEMBL9768653 0.73 CA2 (0.41) THRBTHRACA1CA2CA9
SCHEMBL6151750 0.69 THRB (0.39) THRBTHRAMCHR1PNMTSERPINE1

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-4840887-A USEFUL GROUP RELEASED BY CLEAVAGE BETWEEN SULFONYL GROUP AND A NITROGEN, SULFUR OR OXYGEN ATOM; STABILITY FUJI PHOTO FILM CO., LTD. (JP) 1989-06-20 US disclosed