SCHEMBL11435809

SCHEMBL11435809

CC1CC1(C)C(=O)Nc1ccc(OCC2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
PARP15 Q460N3 3/20 0.47
PARP10 Q53GL7 3/20 0.47
PARP2 Q9UGN5 2/20 0.47
ADAM17 P78536 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ACACB O00763 3/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GPR88 Q9GZN0 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL11564384 0.88 CNR2 (0.47) CNR2PARP15PARP10PARP2ADAM17
SCHEMBL11565894 0.84 CNR2 (0.44) CNR2PARP15PARP10PARP2ADAM17
SCHEMBL1858579 0.77 PARP15 (0.57) PARP15PARP10PARP2NR1H4FNTA
SCHEMBL11435256 0.77 GLA (0.55) CNR2TP53
SCHEMBL11440345 0.77 CNR2 (0.42) CNR2
SCHEMBL11562240 0.76 GLA (0.44) CNR2TP53
SCHEMBL13652527 0.76 POLB (0.55) PARP15PARP10PARP2NR1H4ACACB
SCHEMBL11440779 0.75 CNR2 (0.44) CNR2ACACBPKM
SCHEMBL11566982 0.74 MAPT (0.50) CNR2NR1H4ACACBTP53PKM
SCHEMBL11562800 0.73 CNR2 (0.64) CNR2TP53PKM

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-4199347-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1980-04-22 US disclosed
US-4166735-A Cycloalkanecarboxanilide derivative herbicides SHELL OIL COMPANY (US) 1979-09-04 US disclosed