SCHEMBL778830

SCHEMBL778830

CC(C)(c1ccccc1)c1ccccc1[O]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
NR3C2 P08235 3/20 0.44
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
ALOX15 P16050 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL1660597 0.85 ALDH1A1 (0.39) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL21517638 0.84 ESR1 (0.59) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL28101263 0.84 NR3C2 (0.40) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL2199266 0.83 ALDH1A1 (0.54) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL15901994 0.79 ESR1 (0.48) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL4321031 0.79 ESR1 (0.48) ESR1ESR2ALDH1A1CYP3A4NR3C2
Bicarbonate SCHEMBL28317859 0.79 ALDH1A1 (0.52) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL26120875 0.76 ALDH1A1 (0.48) ESR1ESR2ALDH1A1CYP3A4NR3C2
SCHEMBL395531 0.75 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C19
SCHEMBL9421204 0.74 ESR1 (0.46) ESR1ESR2ALDH1A1CYP3A4NR3C2

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585604-B Dicarboxylic acid compounds, inorganic particles and compositions thereof treated with dicarboxylic acid compounds 3M创新有限公司 2024-02-02 CN claimed
CN-114585604-A Dicarboxylic acid compound, inorganic particle treated with dicarboxylic acid compound, and composition thereof 3M创新有限公司 2022-06-03 CN claimed
CN-110366406-A Monochromatic dental shaped article and blank for producing a dental restoration 义获嘉伟瓦登特公司 2019-10-22 CN claimed
US-20050192411-A1 Triazine compounds, polymers comprising triazine structural units, and method GENERAL ELECTRIC CO. 2005-09-01 US claimed
EP-0640639-B1 High impact resistant polycarbonate IDEMITSU PETROCHEMICAL CO (JP) 2004-02-11 EP claimed
EP-1348003-A1 PROCESS FOR THE PRODUCTION OF POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2003-10-01 EP claimed
WO-2002060977-A1 PROCESS FOR THE PRODUCTION OF POLYCARBONATE GENERAL ELECTRIC COMPANY (US) 2002-08-08 WO claimed
US-5805326-A Optical limiter structure and method THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1998-09-08 US claimed
EP-0293891-B1 Process for producing high impact resistant polycarbonate IDEMITSU PETROCHEMICAL CO (JP) 1996-04-17 EP claimed
EP-0564275-B1 Antifouling paint NIPPON PAINT CO LTD (JP) 1996-01-31 EP claimed
EP-0640639-A2 High impact resistant polycarbonate IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1995-03-01 EP claimed
EP-0564275-A1 Antifouling paint NIPPON PAINT CO., LTD. (JP) 1993-10-06 EP claimed
US-4975210-A Phthalocyanine complex-filled fluids WESTINGHOUSE ELECTRIC CORP. (US) 1990-12-04 US claimed
US-4902735-A CUMYLPHENOXY TERMINAL GROUP IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1990-02-20 US claimed
EP-0293891-A2 Process for producing high impact resistant polycarbonate IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1988-12-07 EP claimed
JP-1070528-A None JP disclosed
JP-5156148-A None JP disclosed
US-H477-H Monolayer-forming substituted phthalocyanine compounds and method of preparation thereof UNITED STATES OF AMERICA (US) 1988-06-07 US disclosed
US-4701565-A REACTING ALCOHOL WITH ORGANIC SULFONYL HALIDE TO FORM SULFONATE, REACTING SULFONATE WITH A PHENOL FUJI PHOTO FILM CO., LTD. (JP) 1987-10-20 US disclosed
US-4636767-A Mixed semiconductor film device for monitoring gases THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1987-01-13 US disclosed