SCHEMBL13048615

SCHEMBL13048615

C=Cc1ccc(COc2c(F)c(F)c(C)c(F)c2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ MAPT P10636 4/20 0.35
▸ L3MBTL1 Q9Y468 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA7 P36544 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33

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
SCHEMBL14867055 0.90 MAPT (0.41) ALDH1A1MAPTL3MBTL1TDP1POLB
SCHEMBL23664989 0.83 PPARG (0.33) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL21141921 0.83 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL23969913 0.83 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1TDP1POLB
SCHEMBL25945207 0.83 ALDH1A1 (0.34) ALDH1A1MAPTL3MBTL1TDP1POLB
SCHEMBL21141917 0.82 ALDH1A1 (0.46) ALDH1A1MAPTL3MBTL1TDP1POLB
Lithium Ion SCHEMBL30085325 0.81 POLB (0.33) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL14619310 0.81 AGXT (0.45) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL24248347 0.81 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1SMN1; SMN2NPC1
SCHEMBL2742186 0.78 TDP1 (0.42) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3524646-B1 IONIC COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DIODE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
EP-3524646-A1 IONIC COMPOUND, COATING COMPOSITION COMPRISING SAME, AND ORGANIC LIGHT-EMITTING DIODE LG Chem, Ltd. (KR) 2019-08-14 — — EP disclosed
US-7833690-B2 Photoacid generators and lithographic resists comprising the same THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2010-11-16 — — US disclosed
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