SCHEMBL6652448

SCHEMBL6652448

C=C(C=CC(N)=O)C(=O)NC(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
KMT2A Q03164 2/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
HTT P42858 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.31

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
SCHEMBL1279982 0.78
SCHEMBL7749797 0.74
SCHEMBL2906578 0.74 CYP2D6 (0.41) MMP1SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL6558496 0.73
SCHEMBL16312318 0.72 MMP1 (0.56) MMP1MMP2MMP3PKMSMN1; SMN2
SCHEMBL11224353 0.71
SCHEMBL554944 0.71 TGFBR1 (0.48) MMP1MMP2MMP3PKMSMN1; SMN2
SCHEMBL20861009 0.70 MMP1 (0.45) MMP1MMP2MMP3PKMSMN1; SMN2
SCHEMBL25588932 0.70 SMN1; SMN2 (0.46) MMP1MMP2MMP3PKMSMN1; SMN2
SCHEMBL24670727 0.69 TSHR (0.38) ALDH1A1TAS1R3TAS1R1KMT2AEPHX1

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-1428500-A1 Oxidising composition comprising a mixture of polymers with at least a acrylamide/2-acrylamido-2-methylpropanesulfonic acid copolymer L'OREAL (FR) 2004-06-16 EP disclosed