SCHEMBL20407450

SCHEMBL20407450

C=C(CO)C(=O)OCCOc1cc(OCCOC)cc(-c2ccc(C3CCC(CCCCC)CC3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ P2RY14 Q15391 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CNR1 P21554 5/20 0.34
▸ CNR2 P34972 5/20 0.34
▸ S1PR3 Q99500 1/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ RARB P10826 1/20 0.32
▸ ITGB3 P05106 1/20 0.32
▸ ITGA2B P08514 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ USP30 Q70CQ3 1/20 0.32

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
SCHEMBL19854416 0.96 RAB9A (0.37) ALDH1A1LMNAMAPTRAB9AP2RY14
SCHEMBL19854219 0.96 RAB9A (0.37) ALDH1A1LMNAMAPTRAB9AP2RY14
SCHEMBL19855316 0.96 RAB9A (0.37) ALDH1A1LMNAMAPTRAB9AP2RY14
SCHEMBL20322814 0.92 RAB9A (0.34) ALDH1A1LMNAMAPTRAB9AP2RY14
SCHEMBL20313630 0.92 RAB9A (0.36) ALDH1A1LMNAMAPTRAB9AP2RY14
SCHEMBL20407647 0.91 MGAT2 (0.35) ALDH1A1LMNAMAPTP2RY14CYP2C9
SCHEMBL20313544 0.90 RAB9A (0.43) ALDH1A1LMNAMAPTRAB9ACYP2C9
SCHEMBL19722125 0.90 RAB9A (0.43) ALDH1A1LMNAMAPTRAB9AP2RY14
SCHEMBL20313557 0.90 CYP2C9 (0.43) ALDH1A1LMNAMAPTRAB9AP2RY14
SCHEMBL20322673 0.89 RAB9A (0.33) ALDH1A1LMNAMAPTRAB9AP2RY14

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
EP-3722278-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2020-10-14 — — EP disclosed
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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