SCHEMBL9250944

SCHEMBL9250944

CCOc1ccccc1C(C)(C)C=C(Cl)Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ HCRTR1 O43613 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ KCNK3 O14649 1/20 0.38
▸ KCNK9 Q9NPC2 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35

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
SCHEMBL9244263 0.84 ALDH1A1 (0.39) ALDH1A1L3MBTL1GLAHCRTR1HPGD
SCHEMBL9247990 0.82 ALDH1A1 (0.37) ALDH1A1L3MBTL1GLAHCRTR1KCNK3
SCHEMBL28399862 0.75 ALDH1A1 (0.48) ALDH1A1L3MBTL1GLAHCRTR1HPGD
SCHEMBL6763906 0.75 CYP1A2 (0.53) ALDH1A1L3MBTL1GLAHSD17B10MAPT
SCHEMBL10942704 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1GLAHCRTR1HPGD
SCHEMBL9803826 0.72 L3MBTL1 (0.49) ALDH1A1L3MBTL1GLAHCRTR1HPGD
SCHEMBL9252917 0.72 KCNN4 (0.38) ALDH1A1HTR2AHTR2CLMNA
SCHEMBL9249193 0.72 ALDH1A1 (0.54) ALDH1A1L3MBTL1HPGDHSD17B10MAPT
SCHEMBL17898140 0.72 ALDH1A1 (0.48) ALDH1A1L3MBTL1GLAHCRTR1HPGD
SCHEMBL9444726 0.70 ALDH1A1 (0.47) ALDH1A1L3MBTL1GLAHCRTR1HPGD

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
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