SCHEMBL6439295

SCHEMBL6439295

NC1(NS(=O)(=O)c2ccccc2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
KEAP1 Q14145 2/20 0.42
IL1RN P18510 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL3415169 0.82 SMN1; SMN2 (0.51) GAAMEN1KMT2ACA1CA2
SCHEMBL3818324 0.82 CA1 (0.47) GAAMEN1KMT2ACA1CA2
SCHEMBL10889524 0.81 GAA (0.48) GAAMCOLN3MEN1KMT2ACA1
SCHEMBL11846809 0.80 GAA (0.47) GAAMCOLN3MEN1KMT2ACA1
SCHEMBL5675304 0.77 USP2 (0.60) GAAMCOLN3MEN1KMT2ACA1
SCHEMBL14676227 0.75 USP2 (0.58) GAAMCOLN3CA1CA2MMP1
SCHEMBL5675309 0.75 GAA (0.42) GAAMCOLN3MEN1KMT2ACA1
SCHEMBL8514374 0.73 PARG (0.61) CA1CA2MMP1MMP2MMP9
SCHEMBL28439744 0.72 CA1 (0.50) MEN1KMT2ACA1CA2MMP1
SCHEMBL14675849 0.71 USP2 (0.55) GAAMCOLN3CA1CA2MMP1

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-0982286-B1 Diene compounds and process for preparing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-02-23 EP disclosed