SCHEMBL20407366

SCHEMBL20407366

C=C(CO)CCOc1cc(OCCOC)cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3C)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.40
▸ MMP3 P08254 6/20 0.40
▸ MMP1 P03956 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ S1PR1 P21453 5/20 0.32
▸ SGPL1 O95470 1/20 0.32
▸ S1PR4 O95977 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C8 P10632 1/20 0.31
▸ S1PR3 Q99500 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
SCHEMBL20407572 0.88 RAB9A (0.36) S1PR1SGPL1CYP3A4CYP2C8S1PR3
SCHEMBL20407382 0.88 S1PR3 (0.33) S1PR1SGPL1S1PR4S1PR5S1PR3
SCHEMBL20407488 0.87 FFAR4 (0.33) MMP2MMP3S1PR1SGPL1S1PR4
SCHEMBL20407639 0.84 MMP2 (0.40) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20407414 0.84 MMP2 (0.42) MMP2MMP3MMP1MMP9MMP14
SCHEMBL19854199 0.84 MMP2 (0.38) MMP2MMP3MMP1MMP9MMP14
SCHEMBL20407659 0.82 FFAR1 (0.33) S1PR1S1PR3
SCHEMBL20407615 0.82 CNR2 (0.32) —
SCHEMBL20407496 0.81 MMP2 (0.31) MMP2MMP3
SCHEMBL20407349 0.80 MMP2 (0.37) MMP2MMP3MMP1MMP9MMP14

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-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
Send feedback