SCHEMBL29090889

SCHEMBL29090889

CC(=O)C=Cc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.49
NFKB1 P19838 1/20 0.46
CYP1A1 P04798 5/20 0.46
CYP1B1 Q16678 5/20 0.46
ALK Q9UM73 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MTOR P42345 1/20 0.41
APP P05067 1/20 0.41
MAOB P27338 2/20 0.40
BACE1 P56817 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DYRK1A Q13627 1/20 0.40

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
SCHEMBL4783571 0.85 CES2 (0.50) CES2NFKB1CYP1A1CYP1B1CYP1A2
SCHEMBL3215005 0.84 CYP1A1 (0.47) NFKB1CYP1A1CYP1B1MAPTLMNA
SCHEMBL3214998 0.84 CYP1A1 (0.47) NFKB1CYP1A1CYP1B1MAPTLMNA
SCHEMBL1404977 0.81 MAPT (0.53) CYP1A1CYP1B1ALKMAPTLMNA
SCHEMBL1404976 0.81 MAPT (0.53) CYP1A1CYP1B1ALKMAPTLMNA
SCHEMBL3901776 0.80 ESR1 (0.53) CES2CYP1A1CYP1B1MAPTMAOB
SCHEMBL3901782 0.80 ESR1 (0.53) CES2CYP1A1CYP1B1MAPTMAOB
SCHEMBL5647110 0.78 NFKB1 (0.74) NFKB1MAPTLMNAMAOBBACE1
SCHEMBL29375076 0.78 NFKB1 (0.74) NFKB1MAPTLMNAMAOBBACE1
SCHEMBL30963014 0.78 NFKB1 (0.74) NFKB1MAPTLMNAMAOBBACE1

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
CN-116745467-A Composition for tin or tin alloy electroplating comprising a leveling agent 巴斯夫欧洲公司 2023-09-12 CN claimed
CN-116745467-A Composition for tin or tin alloy electroplating comprising a leveling agent 巴斯夫欧洲公司 2023-09-12 CN disclosed