SCHEMBL9010486

SCHEMBL9010486

CCCCCCCCOc1cc(C(F)(F)F)cc(OCCCCCCCC)c1-n1nc(C#N)c(SC(F)(F)F)c1N(OCCCCCCCC)C(C)=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL9010489 0.87 GABRB3 (0.40) CTSK
SCHEMBL6055706 0.65 GABRP (0.46)
SCHEMBL3818947 0.64 GABRB3 (0.45)
SCHEMBL4082183 0.63 GABRB3 (0.47)
SCHEMBL6055759 0.62 GABRB3 (0.46)
SCHEMBL6055866 0.62 GABRB3 (0.44)
SCHEMBL9353770 0.61 GABRB3 (0.44)
SCHEMBL3824608 0.60 GABRB3 (0.50)
SCHEMBL15406 0.58 GABRP (0.61)
SCHEMBL6055680 0.58 GABRB3 (0.45) CTSKALDH1A1

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-5556873-A AGRICULTURAL PESTICIDES RHONE-POULENC INC. (US) 1996-09-17 US claimed