SCHEMBL29236348

SCHEMBL29236348

CCCCCCCCCCC1(C#N)C=CC(c2ccc(-c3ccccc3)cc2)=CC1.CCCCCCCCCCCC1(C#N)C=CC(c2ccc(-c3ccccc3)cc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.38
MMP9 P14780 5/20 0.38
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MMP3 P08254 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
MMP8 P22894 2/20 0.30
MMP13 P45452 2/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL29236168 1.00 MMP2 (0.38) MMP2MMP9TSHRHSD17B10MMP3
SCHEMBL9846943 1.00 MMP2 (0.38) MMP2MMP9TSHRHSD17B10MMP3
SCHEMBL29236177 1.00 MMP2 (0.38) MMP2MMP9TSHRHSD17B10MMP3
SCHEMBL29236259 1.00 MMP2 (0.38) MMP2MMP9TSHRHSD17B10MMP3
SCHEMBL9689901 0.99 MMP2 (0.36) MMP2MMP9TSHRHSD17B10
SCHEMBL29236367 0.98 MMP2 (0.36) MMP2MMP9TSHRHSD17B10
SCHEMBL9747318 0.97 MMP2 (0.34) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL4476026 0.97 MMP2 (0.34) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL225998 0.97 MMP2 (0.34) MMP2MMP9MMP3OPRM1OPRD1
SCHEMBL8339746 0.97 MMP2 (0.34) MMP2MMP9MMP3OPRM1OPRD1

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
CN-118235072-A Optical film and polarizing plate 东曹株式会社 2024-06-21 CN disclosed