SCHEMBL7368121

SCHEMBL7368121

N#CCCC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.64
EGFR P00533 5/20 0.63
NR4A1 P22736 1/20 0.60
NR4A2 P43354 1/20 0.60
NR4A3 Q92570 1/20 0.60
MAOB P27338 2/20 0.57
PARP10 Q53GL7 1/20 0.57
SRD5A2 P31213 1/20 0.56
PLA2G4B P0C869 1/20 0.54
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL4600574 0.85 NR4A1 (0.64) GUSBEGFRNR4A1NR4A2NR4A3
SCHEMBL958582 0.82 EGFR (0.69) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL6811506 0.82 EGFR (0.69) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL1557011 0.82 FFAR1 (0.71) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL6760987 0.82 GUSB (0.57) GUSBEGFRNR4A1NR4A2NR4A3
SCHEMBL4152328 0.81 EGFR (0.72) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL27517502 0.81 EGFR (0.68) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL11290489 0.79 EGFR (0.66) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL6283205 0.79 EGFR (0.70) EGFRNR4A1NR4A2NR4A3MAOB
SCHEMBL8930320 0.79 PARP10 (0.69) EGFRNR4A1NR4A2NR4A3MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952321-A Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO., INC. (US) 1999-09-14 US disclosed
EP-0666846-A4 1995-09-20 EP disclosed
EP-0666846-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO. INC. (US) 1995-08-16 EP disclosed
WO-1994010143-A1 NEW SUBSTITUTED AZETIDINONES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS MERCK & CO., INC. (US) 1994-05-11 WO disclosed