SCHEMBL4603241

SCHEMBL4603241

COc1ccc(CC(C)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
SLC6A4 P31645 1/20 0.56
LTA4H P09960 1/20 0.55
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
LDHA P00338 1/20 0.53
ALDH1A1 P00352 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL4603238 1.00 MEN1 (0.59) MEN1KMT2ASLC6A4LTA4HCYP1A2
Ammonia Solution, Strong SCHEMBL8976504 0.98 MEN1 (0.57) MEN1KMT2ASLC6A4LTA4HCYP1A2
Ammonia Solution, Strong SCHEMBL5305768 0.91 ALDH1A1 (0.58) MEN1KMT2ASLC6A4LTA4HCYP1A2
SCHEMBL10338355 0.90 CYP1A2 (0.63) MEN1KMT2ASLC6A4LTA4HCYP1A2
Fumaric Acid SCHEMBL8867436 0.87 TDP1 (0.53) MEN1KMT2ALDHAALDH1A1PPARG
SCHEMBL9069704 0.86 ESR1 (0.61) SLC6A4SIGMAR1ESR1ESR2
SCHEMBL21286388 0.85 CYP1A2 (0.58) MEN1KMT2ASLC6A4CYP1A2CYP2D6
SCHEMBL217345 0.85 MEN1 (0.62) MEN1KMT2ASLC6A4LTA4HCYP1A2
SCHEMBL631023 0.83 ALDH1A1 (0.66) MEN1KMT2ASLC6A4LTA4HCYP1A2
SCHEMBL12604223 0.82 MEN1 (0.56) MEN1KMT2ASLC6A4LTA4HCYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113636972-B Polysubstituted benzene compound and synthesis method thereof 华东师范大学 2023-11-10 CN disclosed
US-10040964-B2 Use of tristyrylphenol alkoxylate sulfosuccinates in emulsion polymerization and coatings STEPAN COMPANY (US) 2018-08-07 US disclosed
EP-1650286-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed
US-7108895-B2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEMICAL CO., LTD. (JP) 2006-09-19 US disclosed
EP-1650285-A2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
EP-1650286-A2 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
EP-1650284-A2 Liquid crystal composition containing an optical active compound and liquid crystal electro-optical element Seimi Chemical Co., Ltd. (JP) 2006-04-26 EP disclosed
US-20040079922-A1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEMICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1371712-A1 LIQUID-CRYSTAL COMPOSITION CONTAINING OPTICALLY ACTIVE COMPOUND AND LIQUID-CRYSTAL ELECTROOPTIC ELEMENT Seimi Chemical Co., Ltd. (JP) 2003-12-17 EP disclosed