SCHEMBL9573261

SCHEMBL9573261

CCNCCN(C=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
REN P00797 1/20 0.37
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
PPIB P23284 1/20 0.35
PPID Q08752 1/20 0.35
PPIG Q13427 1/20 0.35
ALDH1A1 P00352 1/20 0.34
KCNH2 Q12809 1/20 0.34
ADRB2 P07550 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL26130465 0.84 ALOX5 (0.40) ALDH1A1TSHR
SCHEMBL7407277 0.84 REN (0.36) RENCCR6PAX8ALDH1A1KCNH2
SCHEMBL1573556 0.80 TSHR (0.40) PPIBPPIDPPIGALDH1A1L3MBTL1
SCHEMBL12762248 0.80 CETP (0.43) ALDH1A1KCNH2L3MBTL1TSHR
SCHEMBL6949217 0.79 TAAR1 (0.42) TSHR
SCHEMBL8960248 0.79 TSHR (0.41) ALDH1A1L3MBTL1TSHR
SCHEMBL6951407 0.78 HTT (0.44) HTTADRA1ACCR6PAX8ALDH1A1
SCHEMBL10473639 0.78 CARM1 (0.41) ALDH1A1PRMT6TSHR
SCHEMBL1415899 0.78 TSHR (0.38) ALDH1A1L3MBTL1TSHR
SCHEMBL8495462 0.78 CCR6 (0.38) CCR6PAX8ALDH1A1L3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525973-A2 Substituted azetidinones as anti-inflammatory and antidegenerative agents MERCK & CO. INC. (US) 1993-02-03 EP disclosed