SCHEMBL9504993

SCHEMBL9504993

O=CC(c1ccc(O)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
NQO2 P16083 1/20 0.42
ALOX5 P09917 1/20 0.42
KDM4E B2RXH2 5/20 0.41
PTGS2 P35354 2/20 0.41
RAB9A P51151 1/20 0.41
XDH P47989 1/20 0.41
TDP1 Q9NUW8 7/20 0.40
RECQL P46063 6/20 0.40
MAPT P10636 5/20 0.40
BLM P54132 4/20 0.40
LMNA P02545 4/20 0.40
APEX1 P27695 3/20 0.40
HPGD P15428 2/20 0.40
ADRA1A P35348 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL17083602 0.85 ESR1 (0.46) KDM4ERAB9ATDP1RECQLMAPT
SCHEMBL7723547 0.82 TYR (0.40) KDM4EPTGS2RAB9AXDHTDP1
SCHEMBL4367473 0.78 IDO1 (0.47) KDM4ETDP1MAPTLMNAHPGD
SCHEMBL6439294 0.77 MAPT (0.36) NQO2KDM4ETDP1RECQLMAPT
SCHEMBL26999424 0.77 CYP1A2 (0.48) RAB9AKMT2AMEN1CYP3A4PTGS1
SCHEMBL26999420 0.76 MAPK1 (0.47) KDM4ERAB9ATDP1MAPTAPEX1
SCHEMBL26999421 0.76 ALOX15 (0.54) KDM4ETDP1MAPTLMNAHPGD
SCHEMBL26999419 0.76 ESR1 (0.40) KDM4ETDP1MAPTLMNAHPGD
SCHEMBL26999415 0.76 ACHE (0.54) KDM4ERAB9ATDP1MAPTBLM
SCHEMBL2827168 0.76 TYR (0.43) KDM4EMAPTHPGDTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5139946-A None JP disclosed
JP-H05139946-A MELANIN INHIBITOR KAO CORP 1993-06-08 JP disclosed