SCHEMBL4960855

SCHEMBL4960855

CCc1ccccc1CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.54
GABRB2 P47870 5/20 0.54
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
MGLL Q99685 1/20 0.39
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 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
SCHEMBL840750 0.89 GABRA1 (0.64) GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL5174943 0.87 GABRA1 (0.61) GABRA1GABRB2SLC6A2SLC6A4POLB
SCHEMBL5174936 0.87 GABRA1 (0.61) GABRA1GABRB2SLC6A2SLC6A4POLB
Hydrogen Peroxide SCHEMBL5685702 0.84 GABRA1 (0.65) GABRA1GABRB2SLC6A2SLC6A4POLB
Bicarbonate SCHEMBL27568192 0.83 GABRA1 (0.58) GABRA1GABRB2L3MBTL1
SCHEMBL8481999 0.83 GABRA1 (0.52) GABRA1GABRB2SLC6A2SLC6A4L3MBTL1
SCHEMBL11464452 0.82 GABRA1 (0.56) GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL9715937 0.82 GABRA1 (0.56) GABRA1GABRB2SLC6A2SLC6A4
SCHEMBL3458915 0.81 SLC6A2 (0.52) SLC6A2SLC6A4
SCHEMBL162317 0.81 SLC6A2 (0.52) SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286501-A Comprehensive utilization method of ibuprofen crystallization mother liquor 浙江新和成股份有限公司 2022-11-04 CN claimed
EP-0347939-B1 METHOD FOR PREPARING ALPHA-(4-ISOBUTYLPHENYL) PROPIONIC ACID OR ITS PRECURSOR NIPPON PETROCHEMICALS CO., LTD. (JP) 1993-08-25 EP claimed
US-5097061-A From isobutylbenzene and ethylene, dehydrogenation, carboxylation of the p-isobutylstyrene product, catalytic NIPPON PETROCHEMICALS CO., LTD. (JP) 1992-03-17 US claimed
EP-0347939-A1 Method for preparing alpha-(4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-12-27 EP claimed
JP-2256629-A None JP disclosed
JP-2256627-A None JP disclosed
JP-2169540-A None JP disclosed
JP-2169538-A None JP disclosed
JP-2160744-A None JP disclosed
JP-2160740-A None JP disclosed
JP-2006431-A None JP disclosed
CN-115286501-A Comprehensive utilization method of ibuprofen crystallization mother liquor 浙江新和成股份有限公司 2022-11-04 CN disclosed
JP-H02160740-A PRODUCTION OF ALPHA-(4-ISOBUTYL PHENYL) PROPIONALDEHYDE NIPPON PETROCHEM CO LTD 1990-06-20 JP disclosed
EP-0356236-A2 Chloroethylation of aromatic hydrocarbons ETHYL CORPORATION (US) 1990-02-28 EP disclosed
JP-H026431-A PRODUCTION OF ALPHA-(4-ISOBUTYLPHENYL)PROPIONIC ACID OR ALKYL ESTER THEREOF NIPPON PETROCHEM CO LTD 1990-01-10 JP disclosed
EP-0347939-A1 Method for preparing alpha-(4-isobutylphenyl) propionic acid or its precursor NIPPON PETROCHEMICALS CO., LTD. (JP) 1989-12-27 EP disclosed
CN-1035821-A The method of purification of 2-(4-isobutylphenyl)-propionic acid HOECHST AG (DE) 1989-09-27 CN disclosed
EP-0326027-A1 Process for the purification of 2-(4-isobutylphenyl)-propionic acid HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-02 EP disclosed
US-4843172-A CARBONYLATION USING A RHODIUM COMPOUND AND IODINE CONTAINING CATALYST DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-06-27 US disclosed
CN-88102150-A METHOD FOR PRODUCING IBUPROFEN 1988-11-23 CN disclosed