SCHEMBL20407488

SCHEMBL20407488

C=C(CO)CCOc1cc(OCCOC)cc(-c2ccc(-c3ccc(C4CCC(CCCCC)CC4)cc3)cc2CC)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.33
▸ S1PR3 Q99500 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP3 P08254 1/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ P2RY14 Q15391 2/20 0.31
▸ S1PR1 P21453 5/20 0.31
▸ SGPL1 O95470 1/20 0.31
▸ CNR1 P21554 2/20 0.31
▸ CNR2 P34972 2/20 0.31
▸ S1PR4 O95977 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 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
SCHEMBL20407613 0.89 FPR2 (0.33) FFAR4ALDH1A1LMNAMAPTP2RY14
SCHEMBL20407519 0.87 CYP2C9 (0.39) FFAR4MMP2MMP3RAB9AALDH1A1
SCHEMBL20407366 0.87 MMP2 (0.40) S1PR3MMP2MMP3S1PR1SGPL1
SCHEMBL20407615 0.87 CNR2 (0.32) CNR1CNR2ITGB3ITGA2B
SCHEMBL20407572 0.86 RAB9A (0.36) S1PR3RAB9AALDH1A1LMNAMAPT
SCHEMBL20407382 0.86 S1PR3 (0.33) S1PR3RAB9AALDH1A1LMNAMAPT
SCHEMBL20407377 0.86 ITGB3 (0.35) FFAR4S1PR3S1PR1CNR1CNR2
SCHEMBL19855551 0.85 FFAR4 (0.34) FFAR4RAB9AALDH1A1LMNAMAPT
SCHEMBL20407616 0.84 MMP2 (0.34) FFAR4MMP2MMP3
SCHEMBL20407358 0.83 CNR1 (0.33) S1PR3ALDH1A1LMNAS1PR1CNR1

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
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