SCHEMBL9303754

SCHEMBL9303754

C=CCc1c(O)ccc(C(C)=O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
PTPN1 P18031 2/20 0.45
DHODH Q02127 1/20 0.45
SRD5A1 P18405 1/20 0.43
TYR P14679 2/20 0.42
CYP19A1 P11511 1/20 0.42
GAA P10253 3/20 0.39
MAOB P27338 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 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
SCHEMBL31657717 1.00 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2925754 0.84 SELL (0.52) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8957203 0.83 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6936437 0.83 HPGD (0.48) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL8957163 0.83 SRD5A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL5513553 0.83 MEN1 (0.65) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3961509 0.82 CA12 (0.47) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13596068 0.81 TSHR (0.42) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13596070 0.81 MEN1 (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3958076 0.81 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114146071-B Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2023-02-28 CN claimed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN claimed
JP-5017389-A None JP disclosed
JP-1197436-A None JP disclosed
CN-115040497-A Application of paeonol derivative in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-09-13 CN disclosed
CN-114146071-A Application of paeonol and its derivatives in preventing and treating leukoplakia syndrome 西北农林科技大学深圳研究院 2022-03-08 CN disclosed
US-5360909-A THROMBOXANE A2 ANTAGONIST TERUMO KABUSHIKI KAISHA (JP) 1994-11-01 US disclosed
EP-0293220-B1 Pharmacologically active 2-and 3-substituted (1', 5'-diaryl-3-pyrazolyl)-N-Hydroxypropanamides and method for synthesizing ORTHO PHARMA CORP (US) 1994-08-31 EP disclosed
EP-0562796-A1 Phenoxyacetic acid compounds and medical preparations containing them TERUMO KABUSHIKI KAISHA (JP) 1993-09-29 EP disclosed
JP-H0517389-A PRODUCTION OF 3-ALLYL-2,4-DIHYDROXYACETOPHENONE DAICEL CHEM IND LTD 1993-01-26 JP disclosed
US-5051518-A Antiinflammatory agents and cardiovascular disorders ORTHO PHARMACEUTICAL CORPORATION (US) 1991-09-24 US disclosed
JP-H01197436-A ANTIRHEUMATIC TERUMO CORP 1989-08-09 JP disclosed
EP-0292977-A1 Alkoxy-substituted dihydrobenzopyran-2-carboxylate derivatives G.D. Searle & Co. (US) 1988-11-30 EP disclosed
EP-0293220-A2 Pharmacologically active 2-and 3-substituted (1', 5'-diaryl-3-pyrazolyl)-N-Hydroxypropanamides and method for synthesizing ORTHO PHARMACEUTICAL CORPORATION (US) 1988-11-30 EP disclosed
EP-0244164-A1 Stereoselective synthesis of leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1987-11-04 EP disclosed
US-4617407-A ANTIASTHMA, ANTIALLERGEN, ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA, INC. (CA) 1986-10-14 US disclosed
EP-0028063-B1 PHENOL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1984-06-13 EP disclosed
EP-0028063-A1 Phenol derivatives, processes for their preparation and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1981-05-06 EP disclosed
US-4252818-A Novel benzopyran derivatives MERCK & CO., INC. (US) 1981-02-24 US disclosed
US-4133889-A ANAPHYLAXIS ANTAGONISTS FISONS, LTD. (GB) 1979-01-09 US disclosed