SCHEMBL9747271

SCHEMBL9747271

CCCCc1c(O)cc(-c2ccccc2)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.58
HPGD P15428 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
ALOX5 P09917 1/20 0.44
PSMB5 P28074 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
TYR P14679 1/20 0.42
GCGR P47871 1/20 0.41
CYP19A1 P11511 1/20 0.40
CNR2 P34972 1/20 0.40
DRD2 P14416 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
SCHEMBL9745855 0.89 ALOX5 (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL9747943 0.80 POLB (0.51) HPGDHTTKDM4EALOX5MGLL
SCHEMBL31540970 0.80 NPC1 (0.72) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL2863890 0.80 HPGD (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28166975 0.79 PSMB5 (0.48) PSMB5HSD11B1GCGR
SCHEMBL8706623 0.79 TYR (0.61) HPGDHTTKDM4EALOX5TRPV1
SCHEMBL2654018 0.78 NPC1 (0.46) NPC1HPGDMAPK1HTTRAB9A
Benzene SCHEMBL28002837 0.78 HTT (0.57) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL12457001 0.78 TYR (0.46) HTTALOX5TRPV1MGLLTYR
SCHEMBL2868017 0.76 BACE1 (0.47) NPC1HPGDMAPK1HTTRAB9A

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-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed