SCHEMBL5961843

SCHEMBL5961843

COc1cc(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2E1 P05181 1/20 0.53
CYP2C8 P10632 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2A6 P11509 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP4B1 P13584 1/20 0.53
CYP2B6 P20813 1/20 0.53
CYP3A5 P20815 1/20 0.53
CYP2A7 P20853 1/20 0.53
CYP3A7 P24462 1/20 0.53
CYP2F1 P24903 1/20 0.53
CYP2C18 P33260 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP2J2 P51589 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4F8 P98187 1/20 0.53
CYP4A11 Q02928 1/20 0.53

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
SCHEMBL20550345 0.90 CYP1A1 (0.56) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL7465931 0.89 EGFR (0.46) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL7470994 0.89 EGFR (0.46) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL13053148 0.85 ACHE (0.48) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL14027797 0.85 PGR (0.54) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
Tannin Pyrogallol SCHEMBL7671492 0.83 CYP3A4 (0.52) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL13053117 0.83 SLC6A9 (0.43) CYP3A4CYP1A1CYP1A2CYP2E1CYP2C8
SCHEMBL2093994 0.83 MAOA (0.51) ACACAPTPRCPTPN1ALDH1A1HSD17B10
SCHEMBL4533772 0.83 L3MBTL1 (0.62) CYP1A1CYP1A2CYP1B1ACACAALDH1A1
SCHEMBL24106783 0.83 ALDH1A1 (0.55) PTPRCPTPN1ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218717-B Method for preparing asymmetric terphenyl compound by using bromoarylsulfonyl fluoride 遵义医科大学 2020-01-07 CN disclosed
CN-1802374-A White-emitting compounds, process for the production thereof, and white-emitting devices HIROSE ENGINEERING CO LTD (JP) 2006-07-12 CN disclosed
US-7074523-B2 Lithium secondary battery HITACHI, LTD. (JP) 2006-07-11 US disclosed
US-20040106039-A1 nonaqueous electrolytic solution containing a compound that is oxidized at a voltage > a charge end voltage of the battery and a compound which inhibits reactions at voltages < the charge end voltage ARAI JUICHI (JP) 2004-06-03 US disclosed
US-20030003370-A1 Nonaqueous electrolytic solution containing a compound which is oxidized at a voltage higher than a charge end voltage of the lithium secondary battery and a compound which inhibits reactions at voltages lower than said charge end voltage. HITACHI, LTD. (JP) 2003-01-02 US disclosed
EP-1258939-A2 Lithium secondary battery Hitachi, Ltd. (JP) 2002-11-20 EP disclosed