SCHEMBL18904643

SCHEMBL18904643

C=CC(=O)OCCCCOCC(COc1ccc(C(=O)Oc2ccc(-c3ccc(CCC)cc3)c(C=N)c2)cc1)OC(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.37
▸ THRB P10828 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ PLA2G2A P14555 4/20 0.33
▸ PLA2G10 O15496 2/20 0.33
▸ PLA2G1B P04054 2/20 0.33
▸ PLA2G5 P39877 2/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ ACR P10323 1/20 0.33
▸ PTPN11 Q06124 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ NFKB1 P19838 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
SCHEMBL19497864 0.89 MAPT (0.45) MAPTTHRBSMN1; SMN2PRSS1ACR
SCHEMBL19623991 0.89 THRB (0.37) MAPTTHRBSMN1; SMN2PLA2G2APLA2G10
SCHEMBL18200278 0.89 MAPT (0.44) MAPTTHRBSMN1; SMN2PRSS1ACR
SCHEMBL21042282 0.88 THRB (0.40) MAPTTHRBSMN1; SMN2PRSS1ACR
SCHEMBL19497859 0.88 MAPT (0.45) MAPTTHRBSMN1; SMN2PRSS1ACR
SCHEMBL19497953 0.82 MAPT (0.46) MAPTTHRBSMN1; SMN2PRSS1ACR
SCHEMBL19497942 0.82 ALDH1A1 (0.40) MAPTTHRBSMN1; SMN2PTPN11NPC1
SCHEMBL17933563 0.82 MAPT (0.38) MAPTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL19497907 0.81 MAPT (0.45) MAPTTHRBSMN1; SMN2PRSS1ACR
SCHEMBL19497950 0.80 MAPT (0.46) MAPTTHRBSMN1; SMN2PRSS1ACR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019102922-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER OF SAME, OPTICALLY ANISOTROPIC BODY, AND DISPLAY ELEMENT DIC株式会社 2019-05-31 — — WO disclosed
WO-2018101122-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY IN WHICH SAME IS USED DIC株式会社 2018-06-07 — — WO disclosed
WO-2018016567-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC株式会社 2018-01-25 — — WO disclosed
WO-2017090418-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY USING SAME DIC株式会社 2017-06-01 — — WO disclosed
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