SCHEMBL20060289

SCHEMBL20060289

CC#Cc1cc(Br)c(C2C(=O)CCC(CC)C2=O)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.38
HTR1A P08908 3/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33
CA6 P23280 2/20 0.33
BCHE P06276 1/20 0.31
ACHE P22303 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
SCHEMBL21985648 0.93 HTR2A (0.33) HTR2AHTR1AHTR2CHTR2BCA1
SCHEMBL20060263 0.88 CA1 (0.31) HTR2ACA1CA2CA4CA6
SCHEMBL21985638 0.85 HTR2A (0.32) HTR2AHTR1AHTR2CHTR2B
SCHEMBL21985343 0.82 PPARD (0.33) HTR2AHTR2CHTR2BCA1CA2
SCHEMBL21985264 0.80 CNR1 (0.30)
SCHEMBL19773784 0.80 CNR1 (0.33)
SCHEMBL20060233 0.79
SCHEMBL20060279 0.78
SCHEMBL16272419 0.78 HTR1A (0.34) HTR2AHTR1AHTR2CHTR2B
SCHEMBL19773927 0.78

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-3004052-B1 HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF SYNGENTA LTD (GB) 2018-04-18 EP disclosed