SCHEMBL1837488

SCHEMBL1837488

CC(C)C(C)(C)c1ccc(O)c(C(C)(C)C(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
ALOX15 P16050 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
ESR1 P03372 6/20 0.41
LMNA P02545 2/20 0.41
TYR P14679 2/20 0.41
NR1I2 O75469 1/20 0.41
CYP2C9 P11712 1/20 0.41
MIF P14174 1/20 0.41
HTT P42858 1/20 0.41
NFE2L2 Q16236 1/20 0.41
RORC P51449 1/20 0.41
MAPT P10636 3/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11317552 0.80 TRPA1 (0.46) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL5907161 0.78 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL10902514 0.78 HSD17B10 (0.43) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL6933121 0.78 ALOX15 (0.55) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL23057414 0.76 MAOB (0.50) ALDH1A1ALOX15TDP1HPGDHTT
SCHEMBL11213618 0.73 GAA (0.41) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL11423802 0.72 ALOX15 (0.68) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL1414030 0.72 ALDH1A1 (0.60) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL31276457 0.72 ALDH1A1 (0.60) ALDH1A1ALOX15HSD17B10TDP1HPGD
SCHEMBL11576252 0.72 CYP2C9 (0.44) ALDH1A1HSD17B10ESR1LMNATYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769487-B1 Process for preparing carboxyl groups containing alkyl aryl ethers BAYER AG (DE) 2000-01-26 EP claimed
US-5869735-A Process for the preparation of alkyl aryl ethers containing carboxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US claimed
JP-63057636-A None JP disclosed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
US-9714215-B2 Method for producing isocyanate ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-07-25 US disclosed
EP-1088050-A1 LUBRICATING OIL COMPOSITIONS Infineum USA L.P. (US) 2001-04-04 EP disclosed
EP-1088047-A1 LUBRICATING OIL COMPOSITIONS CONTAINING TRINUCLEAR TUNGSTEN COMPOUNDS Infineum USA L.P. (US) 2001-04-04 EP disclosed
WO-1999066011-A2 LUBRICATING OIL COMPOSITIONS CONTAINING TRINUCLEAR TUNGSTEN COMPOUNDS INFINEUM USA L.P. (US) 1999-12-23 WO disclosed
WO-1999066013-A1 LUBRICATING OIL COMPOSITIONS INFINEUM USA L.P. (US) 1999-12-23 WO disclosed
EP-0960178-A1 LUBRICATING OIL COMPOSITIONS CONTAINING ORGANIC MOLYBDENUM COMPLEXES EXXON RESEARCH AND ENGINEERING COMPANY (US) 1999-12-01 EP disclosed
US-5869735-A Process for the preparation of alkyl aryl ethers containing carboxyl groups BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
WO-1998026030-A1 LUBRICATING OIL COMPOSITIONS CONTAINING ORGANIC MOLYBDENUM COMPLEXES EXXON RESEARCH AND ENGINEERING COMPANY (GB) 1998-06-18 WO disclosed
JP-S6357636-A OPTICAL MATERIAL COMPRISING POLYCARBONATE RESIN MITSUBISHI CHEM IND LTD 1988-03-12 JP disclosed
US-3992308-A Lubricating oil composition containing sulfurized reaction product of mixed tertiary alkyl phenols with formaldehyde ETHYL CORPORATION (US) 1976-11-16 US disclosed