SCHEMBL11601889

SCHEMBL11601889

Cc1cc(C)c(C(=O)C(Cl)(Cl)Cl)c(C)c1C(=O)C(Cl)(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 2/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ LDHA P00338 1/20 0.31
▸ LDHB P07195 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL11213326 0.82 KDM4E (0.41) ALDH1A1MAPK1SMN1; SMN2POLBKDM4E
SCHEMBL5037304 0.73 ALDH1A1 (0.39) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL2810235 0.70 CYP3A4 (0.44) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL8106142 0.70 CYP3A4 (0.54) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL11601893 0.69 L3MBTL1 (0.42) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL31257914 0.69 POLB (0.52) SMN1; SMN2POLBCYP3A4ACHEKDM4E
Hydrochloric Acid SCHEMBL5042476 0.69 CYP3A4 (0.52) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
Hydrochloric Acid SCHEMBL5037307 0.69 CYP3A4 (0.52) ALDH1A1MAPK1SMN1; SMN2POLBCYP3A4
SCHEMBL8101683 0.68 GSK3B (0.42) ALDH1A1MAPK1SMN1; SMN2KDM4E
SCHEMBL11214046 0.67 L3MBTL1 (0.43) ALDH1A1MAPK1SMN1; SMN2KDM4EL3MBTL1

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
US-4089815-A Photopolymerization initiators SUN CHEMICAL CORPORATION (US) 1978-05-16 — — US disclosed
US-3992363-A POLY(TRICHLOROACETYL-STYRENE) SUN CHEMICAL CORPORATION (US) 1976-11-16 — — US disclosed
US-3978133-A UNSATURATED MONOMERS, POLYHALOACETYL SUN CHEMICAL CORPORATION (US) 1976-08-31 — — US disclosed
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