SCHEMBL6848221

SCHEMBL6848221

CC(C)=CCc1ccc(C(C)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.61
PTGS1 P23219 12/20 0.61
AKR1C3 P42330 3/20 0.61
LMNA P02545 2/20 0.61
CYP2C9 P11712 2/20 0.61
CXCR1 P25024 2/20 0.61
CXCR2 P25025 2/20 0.61
AKR1C2 P52895 2/20 0.61
ALB P02768 1/20 0.61
ESR1 P03372 1/20 0.61
ALOX5 P09917 1/20 0.61
RARB P10826 1/20 0.61
ADRB3 P13945 1/20 0.61
NFKB1 P19838 1/20 0.61
HTR2A P28223 1/20 0.61
NR1I3 Q14994 1/20 0.61
SLC22A6 Q4U2R8 1/20 0.61
CXCL8 P10145 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL11327771 0.98 PTGS2 (0.59) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11339075 0.86 PTGS1 (0.46) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11327765 0.86 PTGS2 (0.45) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL694753 0.85 PTGS2 (0.65) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL10974081 0.85 PTGS2 (0.44) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11064897 0.83 CXCR1 (0.43) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL10979187 0.82 PTGS2 (0.45) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL10974516 0.82 PTGS2 (0.41) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL5326026 0.82 PTGS2 (0.67) PTGS2PTGS1AKR1C3LMNACYP2C9
SCHEMBL11064345 0.80 APP (0.41) PTGS2PTGS1AKR1C3LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111501291-B Load eccentricity detection method for pulsator washing machine 长虹美菱股份有限公司 2022-09-23 CN claimed
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 CN claimed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 CN claimed
US-20040242597-A1 Combination NYCOMED GMBH (DE) 2004-12-02 US claimed
EP-0067008-B1 ESTERS OF THE CARBOXYLIC ACID TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-08-21 EP claimed
US-4251543-A ANTIINFLAMMATORY AGENTS, ANALGESICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US claimed
JP-58035138-A None JP disclosed
JP-58035132-A None JP disclosed
JP-58035133-A None JP disclosed
JP-58035140-A None JP disclosed
JP-58103340-A None JP disclosed
JP-58103328-A None JP disclosed
JP-57203035-A None JP disclosed
JP-S5835140-A ALPHA-(P-PRENYLPHENYL)PROPIONALDEHYDE AND ITS PREPARATION TAISHO PHARMACEUT CO LTD 1983-03-01 JP disclosed
JP-S5835133-A PREPARATION OF 1-(P-PRENYLPHENYL)ETHANOL TAISHO PHARMACEUT CO LTD 1983-03-01 JP disclosed
EP-0067008-A1 Esters of the carboxylic acid TAISHO PHARMACEUTICAL CO. LTD (JP) 1982-12-15 EP disclosed
JP-S57203035-A CARBOXYLIC ACID ESTER TAISHO PHARMACEUT CO LTD 1982-12-13 JP disclosed
US-4251543-A ANTIINFLAMMATORY AGENTS, ANALGESICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed
US-4251543-A ANTIINFLAMMATORY AGENTS, ANALGESICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed
US-4251543-A ANTIINFLAMMATORY AGENTS, ANALGESICS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed