SCHEMBL27462004

SCHEMBL27462004

CCCCc1ccc(C=O)c(O)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.42
ELANE P08246 2/20 0.38
CTSG P08311 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRM1 P35372 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PRKCI P41743 1/20 0.36
CTRC Q99895 1/20 0.36
CYSLTR2 Q9NS75 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
SCHEMBL3962694 0.88 TYR (0.46) TYRELANECTSGMEN1KMT2A
SCHEMBL28807252 0.86 TYR (0.45) TYRELANECTSGMEN1KMT2A
SCHEMBL27843394 0.83 TYR (0.46) TYRELANECTSGMEN1KMT2A
SCHEMBL5697149 0.83 CYSLTR2 (0.43) TYRELANECTSGMEN1KMT2A
SCHEMBL27628607 0.82 CTRC (0.41) TYRELANECTSGMEN1KMT2A
SCHEMBL193427 0.78 ALOX5 (0.49) ELANECTSGALOX5ERN1IAPP
SCHEMBL14677973 0.78 TYR (0.51) TYRELANECTSGMEN1KMT2A
SCHEMBL28786016 0.77 ERN1 (0.42) TYRELANECTSGMAPTTDP1
SCHEMBL5337847 0.77 PRKCI (0.49) TYRELANECTSGMEN1KMT2A
SCHEMBL8040744 0.77 TYR (0.46) TYRELANECTSGMEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115651206-B Cage-shaped synthetic supermolecular material, preparation method and application thereof 广州大学 2023-11-24 CN claimed
CN-115651206-B Cage-shaped synthetic supermolecular material, preparation method and application thereof 广州大学 2023-11-24 CN disclosed
CN-1267460-C Catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers ROHM & HAAS (US) 2006-08-02 CN disclosed
CN-1597709-A Catalytic composition and its preparation and use for preparing polymers from ethylenically unsaturated monomers ROHM & HAAS (US) 2005-03-23 CN disclosed
CN-1156415-C Ethylene oligomerization after-trasition metal coordination catalyst and its application 中国科学院化学研究所 2004-07-07 CN disclosed
CN-1394834-A Ethylene oligomerization after-trasition metal coordination catalyst and its application CHINESE ACAD INST CHEMISTRY (CN) 2003-02-05 CN disclosed