SCHEMBL20407591

SCHEMBL20407591

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.33
▸ P2RY14 Q15391 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ ITGB3 P05106 2/20 0.31
▸ ITGA2B P08514 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL20322684 0.94 RAB9A (0.38) RAB9ACYP2C9ITGB3ITGA2BALDH1A1
SCHEMBL20322603 0.93 RAB9A (0.33) RAB9A
SCHEMBL23635495 0.92 — —
SCHEMBL19854416 0.92 RAB9A (0.37) RAB9AP2RY14CYP2C9ITGB3ITGA2B
SCHEMBL19855316 0.91 RAB9A (0.37) RAB9AP2RY14CYP2C9ALDH1A1LMNA
SCHEMBL19854219 0.91 RAB9A (0.37) RAB9AP2RY14CYP2C9ALDH1A1LMNA
SCHEMBL20322593 0.89 ITGB3 (0.33) ITGB3ITGA2B
SCHEMBL20322659 0.89 RAB9A (0.30) RAB9AALDH1A1LMNAMAPT
SCHEMBL20407450 0.89 ALDH1A1 (0.35) RAB9AP2RY14CYP2C9ITGB3ITGA2B
SCHEMBL19854414 0.88 CYP2C9 (0.32) CYP2C9ALDH1A1LMNAMAPT

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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