SCHEMBL7705330

SCHEMBL7705330

CCCCCCCCCCCCCCCCCCC1(c2ccccc2)C(C#N)C(=O)NC(=O)C1C#N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.48
MMP9 P14780 6/20 0.48
MMP3 P08254 2/20 0.48
MMP8 P22894 3/20 0.41
MMP13 P45452 3/20 0.41
FAAH O00519 1/20 0.40
MGAT2 Q10469 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7708682 0.89 MMP2 (0.36) MMP2MMP9MMP3FAAHMEN1
SCHEMBL7713916 0.83 LMNA (0.40) MMP2MMP9MMP3MEN1KMT2A
SCHEMBL7711689 0.68 ALDH1A1 (0.37) MEN1KMT2AGAAALDH1A1SMN1; SMN2
SCHEMBL7712022 0.68 LMNA (0.34) MMP2MMP9MEN1KMT2AGAA
SCHEMBL14140856 0.67 ALDH1A1 (0.35) MGAT2MEN1KMT2AGAAALDH1A1
SCHEMBL10469654 0.63 ALDH1A1 (0.36) MMP2MMP9MGAT2GAAALDH1A1
SCHEMBL29010133 0.63 MMP2 (0.65) MMP2MMP9MMP3MMP8MMP13
SCHEMBL13946528 0.63 MMP2 (0.64) MMP2MMP9MMP3MMP8MMP13
SCHEMBL13946578 0.63 MMP2 (0.64) MMP2MMP9MMP3MMP8MMP13
SCHEMBL4304162 0.61 MMP2 (0.50) MMP2MMP9MMP3MMP8MMP13

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-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed