SCHEMBL104016

SCHEMBL104016

C=C(C)c1ccc(CCC(OO)c2ccc(-c3ccc(C(=C)C)cc3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 5/20 0.40
MMP13 P45452 3/20 0.40
ACACB O00763 2/20 0.33
ACACA Q13085 2/20 0.33
RARB P10826 6/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP14 P50281 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RARA P10276 1/20 0.31
MAPT P10636 1/20 0.31
MTOR P42345 1/20 0.31
KMT2A Q03164 1/20 0.31
UTS2R Q9UKP6 1/20 0.31
DPP4 P27487 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 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
SCHEMBL102857 0.78 MMP12 (0.35) MMP12MMP13MMP2MMP9MMP14
SCHEMBL103540 0.71 MGLL (0.37) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6704209 0.71 THRB (0.44) MEN1KMT2ATHRATHRB
SCHEMBL5961786 0.71 FFAR1 (0.49) ACACBMEN1MAPTKMT2A
SCHEMBL9516265 0.69 MAPT (0.44) ALDH1A1MAPT
SCHEMBL21094160 0.68 RARB (0.45) MMP12MMP13RARBMEN1ALDH1A1
SCHEMBL20045123 0.68 PTGS2 (0.30) MEN1MAPTKMT2A
SCHEMBL21093726 0.68 HTT (0.47) MEN1ALDH1A1MAPTKMT2A
SCHEMBL5033205 0.68 ALDH1A1 (0.48) RARBALDH1A1
SCHEMBL10615003 0.67 THRA (0.55) RARBMEN1ALDH1A1KMT2ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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