SCHEMBL11440779

SCHEMBL11440779

CCC(C)Oc1ccc(NC(=O)C2(C)CC2C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
ACACB O00763 4/20 0.42
GLA P06280 1/20 0.40
ALDH1A1 P00352 5/20 0.39
EPHX2 P34913 2/20 0.38
KMT2A Q03164 5/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 2/20 0.38
NLRP1 Q9C000 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL11435256 0.87 GLA (0.55) CNR2GLAALDH1A1KMT2AMAPT
SCHEMBL11562240 0.83 GLA (0.44) CNR2GLAALDH1A1EPHX2KMT2A
SCHEMBL11442328 0.78 GLA (0.51) CNR2GLAALDH1A1KMT2AMAPT
SCHEMBL11564652 0.76 RXFP1 (0.47) CNR2ALDH1A1EPHX2KMT2ATSHR
SCHEMBL2089916 0.76 GLA (0.50) ACACBGLAALDH1A1EPHX2KMT2A
SCHEMBL11440345 0.76 CNR2 (0.42) CNR2EPHX2KMT2ATSHRPOLB
SCHEMBL11564653 0.76 GLA (0.55) CNR2GLAALDH1A1KMT2ATSHR
SCHEMBL11435809 0.75 CNR2 (0.48) CNR2ACACBPKM
SCHEMBL11565623 0.75 GLA (0.54) CNR2GLAALDH1A1KMT2AMAPT
SCHEMBL11566480 0.75 GLA (0.54) CNR2GLAALDH1A1KMT2AMAPT

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