SCHEMBL22955446

SCHEMBL22955446

CC#Cc1cc(C)c(C2C(=O)CC(C3CCN(C(C)=O)CC3)CC2=O)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.33
KCNH2 Q12809 1/20 0.33
HTT P42858 1/20 0.33
QDPR P09417 1/20 0.32
FASN P49327 1/20 0.32
MAPT P10636 2/20 0.31
EPHX2 P34913 3/20 0.31
ALDH1A1 P00352 1/20 0.30
AOC3 Q16853 2/20 0.30
CNR1 P21554 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
SCHEMBL22954946 0.91 QDPR (0.36) SLC9A1QDPR
SCHEMBL22954942 0.89 CNR1 (0.34) HTTMAPTCNR1
SCHEMBL22955563 0.88 CHRNB2 (0.32)
SCHEMBL22954989 0.88 ALDH1A1 (0.33) SLC9A1KCNH2HTTFASNALDH1A1
SCHEMBL22954995 0.87 HTR2A (0.33)
SCHEMBL22954938 0.87
SCHEMBL22954921 0.86 GPR119 (0.47) MAPT
SCHEMBL22954975 0.85 HTT (0.36) SLC9A1KCNH2HTTQDPRMAPT
SCHEMBL22955951 0.85 ACHE (0.43) HTTALDH1A1
SCHEMBL22955488 0.84 ACACB (0.33) MAPTALDH1A1CNR1

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
WO-2021018833-A1 CYCLOHEXANEDIONES AS HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed