SCHEMBL19854034

SCHEMBL19854034

C=C(CO)C(=O)Oc1cc(COC2CCC(CCCCCCCCCCC)CC2)cc(OC(=O)C(=C)CO)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 7/20 0.33
▸ CNR2 P34972 7/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ FUT7 Q11130 1/20 0.32
▸ NAAA Q02083 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ OPRM1 P35372 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
SCHEMBL20407380 0.86 CNR1 (0.40) CNR1CNR2
SCHEMBL19854041 0.83 PLA2G2A (0.36) CNR1CNR2MEN1HTTKMT2A
SCHEMBL20313506 0.83 PLA2G2A (0.36) CNR1CNR2MEN1HTTKMT2A
SCHEMBL19855419 0.82 MRGPRX4 (0.40) CNR1CNR2CYP2C9ITGB3ITGA2B
SCHEMBL20313486 0.81 CYP2C9 (0.36) CNR1CNR2MEN1HTTKMT2A
SCHEMBL20313503 0.80 LSS (0.31) CNR1CNR2NAAA
SCHEMBL19854697 0.78 THRB (0.36) MEN1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL19855421 0.78 LSS (0.30) CNR1CNR2
SCHEMBL19854033 0.78 PKM (0.31) MEN1HTTKMT2A
SCHEMBL19854672 0.78 CYP2C9 (0.34) CYP2C9

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-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
Send feedback