SCHEMBL8764929

SCHEMBL8764929

[O]c1cccc(OCCCCF)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.43
PRSS1 P07477 6/20 0.42
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39

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
SCHEMBL8765009 0.84 PRSS1 (0.47) PRSS1TSHR
SCHEMBL3026889 0.81 PRSS1 (0.45) KCNA3PRSS1TSHR
SCHEMBL7297045 0.81 TSHR (0.62) TSHRKMT2A
SCHEMBL9717879 0.80 TSHR (0.65) TSHRKMT2A
SCHEMBL8766568 0.80 TSHR (0.65) TSHRKMT2A
SCHEMBL2089702 0.80 TSHR (0.65) TSHRKMT2A
SCHEMBL1665036 0.80 TSHR (0.65) TSHRKMT2A
SCHEMBL5961833 0.80 KCNA3 (0.48) KCNA3PRSS1TSHR
SCHEMBL1805409 0.79 TSHR (0.54) TSHRKMT2A
SCHEMBL8764935 0.78 CHRNB2 (0.57) PRSS1

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed