SCHEMBL5931108

SCHEMBL5931108

O=C(NCCCCCCNC(=O)NS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 14/20 0.70
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
ALB P02768 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
EPHX2 P34913 1/20 0.57

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
SCHEMBL28534045 0.92 EPHX2 (0.68) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL19271872 0.92 EPHX2 (0.68) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL11049679 0.91 CYP2C9 (0.69) FBP1ALDH1A1LMNAALBCYP2C9
SCHEMBL184964 0.89 CYP2C9 (0.76) FBP1CA12CA1CA2CA9
SCHEMBL8290800 0.89 HDAC1 (0.65) FBP1EPHX2
SCHEMBL4923123 0.87 LMNA (0.61) FBP1ALDH1A1LMNAALBCYP2C9
Methyl Alcohol SCHEMBL28260710 0.87 CYP2C9 (0.74) FBP1CA12CA1CA2CA9
SCHEMBL26983176 0.85 CA12 (0.63) FBP1CA12CA1CA2CA9
SCHEMBL2290886 0.85 ALDH1A1 (0.72) FBP1CA12CA1CA2CA9
SCHEMBL13355486 0.85 MAPK1 (0.64) FBP1ALDH1A1LMNAALBCYP2C9

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
US-20060100324-A1 Polyolefin resin composition containing diacetal API CORPORATION (JP) 2006-05-11 US disclosed