SCHEMBL23818249

SCHEMBL23818249

C=COCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCOC=C)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ PRSS1 P07477 2/20 0.53
▸ ACR P10323 1/20 0.53
▸ NFKB1 P19838 3/20 0.52
▸ NFKB2 Q00653 3/20 0.52
▸ RELA Q04206 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ MAPT P10636 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ POLB P06746 1/20 0.45

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
SCHEMBL9061738 0.98 LMNA (0.55) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL16772395 0.94 LMNA (0.63) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL6510953 0.89 MAPT (0.50) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL12926236 0.88 MAPT (0.50) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL13512821 0.86 LMNA (0.45) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL15132502 0.86 MAPT (0.68) LMNANPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4348938 0.86 GAA (0.44) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL7660791 0.86 THRB (0.50) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL7571746 0.85 ESR1 (0.49) LMNANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL7574704 0.85 ESR1 (0.43) LMNANPC1CYP1A2CYP2C9CYP2C19

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
US-20210286216-A1 LIQUID CRYSTAL MATERIAL, LIQUD CRYSTAL DISPLAY PANEL, AND MANUFACTURING METHOD THEREOF TCL CHINA STAR OPTOELECTRONICS TECHNOLOGY CO., LTD. (CN) 2021-09-16 — — US disclosed
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