SCHEMBL25933524

SCHEMBL25933524

C=C(C)C(=O)OCCOC(=O)c1ccc(-c2ccc(OC(=O)C(=C)C)c(F)c2)cc1OCCOC(=O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ ELANE P08246 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL24440710 0.93 POLB (0.38) L3MBTL1POLBMAPTRARARARB
SCHEMBL18487314 0.91 THRB (0.35) L3MBTL1POLBMAPTRARARARB
SCHEMBL24170586 0.91 THRB (0.35) L3MBTL1POLBMAPTRARARARB
SCHEMBL22072464 0.89 AAK1 (0.33) L3MBTL1POLBRARARARBELANE
SCHEMBL16351892 0.88 THRB (0.38) L3MBTL1POLBRARARARBTDP1
SCHEMBL25571767 0.87 L3MBTL1 (0.35) L3MBTL1POLBMAPTRARARARB
SCHEMBL22592280 0.86 ELANE (0.36) POLBELANETDP1APEX1HTT
SCHEMBL18476361 0.86 ELANE (0.36) POLBELANETDP1APEX1HTT
SCHEMBL19159115 0.85 POLB (0.36) POLBRARARARBELANETDP1
SCHEMBL19157791 0.85 KMT2A (0.40) L3MBTL1THRBMKNK1MKNK2MEN1

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-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 — — EP disclosed
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