SCHEMBL8205680

SCHEMBL8205680

ClC(Cl)c1ccc2cc3ccccc3cc2c1C(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
HSD17B10 Q99714 6/20 0.40
HIF1A Q16665 2/20 0.40
CYP1B1 Q16678 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.35
NQO1 P15559 1/20 0.35
CYP2A6 P11509 6/20 0.34
KDM4E B2RXH2 4/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 6/20 0.33
TDP1 Q9NUW8 3/20 0.33
CYP3A4 P08684 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL5273225 0.78 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL4645977 0.74 L3MBTL1 (0.48) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL6823596 0.73 CYP2A6 (0.34) ALDH1A1CYP2A6KDM4EAHRMEN1
SCHEMBL6819911 0.72 ERN1 (0.38) ALDH1A1L3MBTL1CYP2A6KDM4EMEN1
SCHEMBL4848746 0.71 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL23664 0.71 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL29532882 0.71 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL4853659 0.71 ALDH1A1 (0.72) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL1538556 0.69 ALDH1A1 (0.41) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1
SCHEMBL15063036 0.69 ALDH1A1 (0.68) ALDH1A1HSD17B10HIF1ACYP1B1L3MBTL1

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
EP-0672291-B1 REDOX COPOLYMERS AND THEIR USE IN PREPARING MIXED CONDUCTION MATERIALS CENTRE NAT RECH SCIENT (FR) 2000-05-31 EP disclosed
US-5883220-A ELECTROCHEMICAL GENERATORS AND ELECTROCHROMIC SYSTEMS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 1999-03-16 US disclosed