SCHEMBL13504652

SCHEMBL13504652

CCc1cc(C)cc(C(N)=O)c1CC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CD38 P28907 1/20 0.36
NNMT P40261 1/20 0.36
MAPK8 P45983 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
PARP1 P09874 3/20 0.34
CDC7 O00311 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DHODH Q02127 1/20 0.33

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
SCHEMBL5372889 0.92 KDM4E (0.39) KDM4ESMN1; SMN2CD38NNMTMAPK8
SCHEMBL1003868 0.86 KDM4E (0.44) KDM4ESMN1; SMN2CD38NNMTMAPK8
SCHEMBL4951717 0.82 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2NNMTL3MBTL1POLB
SCHEMBL14604836 0.82 KDM4E (0.44) KDM4ENNMTMAPK8L3MBTL1POLB
SCHEMBL6186161 0.78 PARP1 (0.41) KDM4ESMN1; SMN2MAPK8PARP1
SCHEMBL3828018 0.78 SMN1; SMN2 (0.39) KDM4ESMN1; SMN2NNMTL3MBTL1POLB
SCHEMBL3025730 0.78 DHFR (0.36) KDM4ESMN1; SMN2L3MBTL1
SCHEMBL24937343 0.77 TSHR (0.50) KDM4EL3MBTL1POLB
SCHEMBL28053273 0.77 KDM4E (0.36) KDM4ESMN1; SMN2PARP1CDC7
SCHEMBL580070 0.77 POLB (0.39) KDM4ESMN1; SMN2L3MBTL1POLBPARP1

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-2439188-B1 p-Menthane-3,8-diol derivatives and insect repellents comprising them SELKIS SAS (FR) 2012-10-31 EP claimed