SCHEMBL9251100

SCHEMBL9251100

Cc1cccc(C(C(C)C(C)C)C(Cl)(Cl)Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
AOC3 Q16853 1/20 0.37
ACP3 P15309 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
EPHX1 P07099 1/20 0.33
TAAR1 Q96RJ0 1/20 0.31
CYP19A1 P11511 2/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL9248072 0.89 ACHE (0.41) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL9687697 0.81 AOC3 (0.39) ACHEAOC3
SCHEMBL9688988 0.74 CYP3A4 (0.42) ALDH1A1MAPK1GAAHPGDMEN1
SCHEMBL26450916 0.74 ACHE (0.41) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL9687417 0.70 AOC3 (0.41) AOC3ACP3ALDH1A1HPGDMEN1
SCHEMBL8750604 0.70 ACHE (0.50) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL3980388 0.70 ACHE (0.50) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL99347 0.69 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL29352930 0.69 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL29378635 0.69 ACHE (0.55) ACHEAOC3ACP3ALDH1A1MAPK1

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-0399284-B1 Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds BAYER AG (DE) 1995-08-02 EP disclosed
US-5136114-A PROCESS FOR THE PREPARATION OF GEMINAL DIARYLALKANES, NEW GEMINAL DIARYLALKANES AND ALK(EN)YLATED AROMATIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
EP-0399284-A2 Method for the production of geminal diarylalkanes, geminal diarylalkanes and alk(en)ylated aromatic compounds BAYER AG (DE) 1990-11-28 EP disclosed