SCHEMBL29954530

SCHEMBL29954530

OB(O)c1ccc2cc(OCc3ccccc3)ccc2c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.67
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CYP3A4 P08684 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
SRD5A2 P31213 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL257567 1.00 ALOX5 (0.67) ALOX5CA1CA2CYP1A2LMNA
SCHEMBL142665 0.84 LMNA (0.66) ALOX5CA1CA2CYP1A2LMNA
SCHEMBL25278599 0.84 MAOB (0.49) ALOX5MAOBMAOA
SCHEMBL31051012 0.84 MAOB (0.49) ALOX5MAOBMAOA
SCHEMBL22315 0.83 CYP4F2 (0.58) ALOX5SRD5A2KDM4EALDH1A1RAB9A
SCHEMBL23247030 0.83 ALOX5 (0.53) ALOX5CA1CA2CYP1A2LMNA
SCHEMBL51460 0.81 ALOX5 (1.00) ALOX5CA1CA2CYP1A2LMNA
SCHEMBL8984340 0.81 ALOX5 (0.92) ALOX5CA1CA2CYP1A2LMNA
SCHEMBL13903287 0.81 CYP1A2 (0.56) ALOX5CA1CA2CYP1A2LMNA
SCHEMBL2555201 0.80 LMNA (0.59) CA1CA2CYP1A2LMNAPTGS1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed