SCHEMBL9161995

SCHEMBL9161995

CCOC(=O)/C=C(/C)C1=Cc2cc(-c3ccccc3)ccc2OC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.47
CCR5 P51681 7/20 0.42
HTT P42858 1/20 0.40
MAOB P27338 3/20 0.38
MAOA P21397 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SHMT2 P34897 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
SCHEMBL9161998 1.00 ALOX5 (0.47) ALOX5CCR5HTTMAOBMAOA
SCHEMBL8543983 0.89 ALOX5 (0.41) ALOX5CCR5HTTMAOBALDH1A1
SCHEMBL8544488 0.85 ALOX5 (0.50) ALOX5CCR5HTTMAOBMAOA
SCHEMBL8544483 0.85 ALOX5 (0.50) ALOX5CCR5HTTMAOBMAOA
SCHEMBL13316590 0.82 MAOB (0.44) ALOX5MAOBALDH1A1KDM4ECASP3
SCHEMBL8543191 0.79 ALOX5 (0.55) ALOX5CCR5HTTMAOBMAOA
SCHEMBL8544470 0.78 ALOX5 (0.47) ALOX5CCR5HTTMAOBMAOA
SCHEMBL8544473 0.78 ALOX5 (0.47) ALOX5CCR5HTTMAOBMAOA
SCHEMBL8548854 0.78 ALOX5 (0.50) ALOX5CCR5MAOBMAOANR1H4
SCHEMBL8548850 0.78 ALOX5 (0.50) ALOX5CCR5MAOBMAOANR1H4

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
US-5391569-A Treating osteoporosis, inflammatory disorders ADIR ET COMPAGNIE (FR) 1995-02-21 US disclosed