SCHEMBL29952337

SCHEMBL29952337

OB(O)c1ccccc1COCc1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.48
LIPG Q9Y5X9 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
NR4A2 P43354 2/20 0.41
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LIPE Q05469 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
TAAR1 Q96RJ0 2/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL3774965 0.82 IDO1 (0.67) IDO1MAOAMAOBNR4A2PNMT
SCHEMBL29952834 0.79 LIPG (0.52) IDO1LIPGKDM4ETDP1ENPP2
SCHEMBL12544470 0.79 LIPG (0.52) IDO1LIPGKDM4ETDP1ENPP2
SCHEMBL2552633 0.79 FABP4 (0.44) IDO1LIPGMAOAMAOBNR4A2
SCHEMBL2561187 0.79 TP53 (0.56) KDM4EENPP2HPGDALDH1A1GAA
SCHEMBL2554369 0.79 LIPE (0.60) IDO1MAOAMAOBKDM4ETDP1
SCHEMBL30905963 0.79 LIPE (0.60) IDO1MAOAMAOBKDM4ETDP1
SCHEMBL29955081 0.78 IDO1 (0.44) IDO1LIPGMAOAMAOBKDM4E
SCHEMBL7418607 0.77 LIPG (0.48) IDO1LIPGENPP2LIPE
SCHEMBL595045 0.76 LIPG (0.44) IDO1LIPGENPP2LIPE

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