SCHEMBL9711513

SCHEMBL9711513

CC1(C)CC(=O)C(C(=O)c2ccc(Cl)c(Cl)c2Cl)C(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.31
HTT P42858 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
SCHEMBL9711670 0.81 HTT (0.31) HTT
SCHEMBL9711539 0.78 LMNA (0.39)
SCHEMBL9711472 0.75 NOTUM (0.36) SLC6A4HTT
SCHEMBL9711461 0.75 HPD (0.42)
SCHEMBL9711554 0.72 HPD (0.35) HTT
SCHEMBL10376030 0.72 HPD (0.42)
SCHEMBL9711566 0.72 KMT2A (0.38)
SCHEMBL9711482 0.72 CES2 (0.46)
SCHEMBL9711467 0.71 HPD (0.43) SLC6A4HTT
SCHEMBL9711480 0.70 HPD (0.45)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5114461-A Herbicides MAY & BAKER LIMITED (GB) 1992-05-19 US disclosed
EP-0278742-A2 Cyclic diones MAY & BAKER LIMITED (GB) 1988-08-17 EP disclosed