SCHEMBL102857

SCHEMBL102857

C=Cc1ccc(CCC(OO)c2ccc(-c3ccc(C=C)cc3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 9/20 0.35
MMP13 P45452 6/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP14 P50281 1/20 0.35
ALDH1A1 P00352 1/20 0.33
PTGS2 P35354 2/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
ADRB2 P07550 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
SCHEMBL20045127 0.85
SCHEMBL20045123 0.85 PTGS2 (0.30) PTGS2
SCHEMBL20045121 0.80 PTGS2 (0.32) PTGS2
SCHEMBL20045124 0.80 PTGS2 (0.34) PTGS2
SCHEMBL104016 0.78 MMP12 (0.40) MMP12MMP13MMP2MMP9MMP14
SCHEMBL102855 0.73 ALDH1A1 (0.44) ALDH1A1PTGS2
SCHEMBL15505282 0.72 TRPA1 (0.34) ALDH1A1TAS1R3TAS1R1
SCHEMBL7518860 0.71 CA2 (0.46) ALDH1A1
SCHEMBL15505283 0.71 TAS1R3 (0.31) ALDH1A1TAS1R3TAS1R1
SCHEMBL4270542 0.70 ALDH1A1 (0.41) MMP12MMP13MMP2MMP9MMP14

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180100105-A1 ANISOTROPIC SCATTERING FILM DIC CORPORATION (JP) 2018-04-12 US disclosed
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed