SCHEMBL10657987

SCHEMBL10657987

CCN(Cc1ccccc1)c1cccc(C)c1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
NR3C1 P04150 10/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
MAPK1 P28482 1/20 0.46
PGR P06401 1/20 0.45
NR3C2 P08235 1/20 0.45
AR P10275 1/20 0.45
TEAD1 P28347 1/20 0.44
CNR2 P34972 5/20 0.44
CNR1 P21554 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL10343497 0.80 TSHR (0.54) TSHRNR3C1PGRNR3C2AR
SCHEMBL5406221 0.78 TSHR (0.66) TSHRNR3C1TRPM8MAPK1CNR2
SCHEMBL3403622 0.77 TSHR (0.59) TSHRNR3C1TRPM8MAPK1PGR
SCHEMBL6854532 0.77 CNR2 (0.48) TSHRNR3C1TRPM8CNR2CNR1
Sulfuric Acid SCHEMBL8957948 0.76 TSHR (0.79) TSHRNR3C1MAPK1CNR2CNR1
SCHEMBL11734487 0.75 TSHR (0.56) TSHRNR3C1TRPM8MAPK1PGR
SCHEMBL13280135 0.74 TSHR (0.51) TSHRNR3C1MAPK1PGRNR3C2
SCHEMBL10657988 0.74 TSHR (0.51) TSHRMAPK1CNR2CNR1
SCHEMBL9717458 0.74 TSHR (0.64) TSHRCNR2CNR1
Sulfuric Acid SCHEMBL11038237 0.73 TSHR (0.58) TSHRNR3C1CNR2CNR1LMNA

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-4734490-A TEXTILE DYEING AND PRINTING CIBA-GEIGY CORPORATION (US) 1988-03-29 US disclosed