SCHEMBL9731532

SCHEMBL9731532

CC(C)(C)OC(=O)C1CC(=S)N(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.42
TACR1 P25103 10/20 0.37
CETP P11597 1/20 0.34
FFAR4 Q5NUL3 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
MAPT P10636 1/20 0.33
NOTUM Q6P988 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL9731353 0.89 CA1 (0.43) STSTACR1CETPCA1CA2
SCHEMBL9731544 0.86 RECQL (0.46) STSCA1CA2CA4CA6
SCHEMBL9731676 0.83 NOTUM (0.44) FFAR4CA1CA2CA4CA6
SCHEMBL10446268 0.81 STS (0.38) STSTACR1CETPFFAR4MAPT
SCHEMBL10445947 0.74 FFAR4 (0.34) STSTACR1FFAR4NOTUM
SCHEMBL11748158 0.74 CA1 (0.58) CA1CA2CA4CA6CA7
SCHEMBL10445910 0.74 ACACB (0.36) STSTACR1CETPMAPTNOTUM
SCHEMBL10445909 0.74 DPP4 (0.39)
SCHEMBL10445941 0.69 TACR1 (0.37) STSTACR1CETP
SCHEMBL27883740 0.69 RECQL (0.68) CA1CA2CA4CA6CA7

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-5108482-A Protect crep plant against phytotoxic action of herbicide; plant growth regulator CIBA-GEIGY CORPORATION (US) 1992-04-28 US disclosed