SCHEMBL9745855

SCHEMBL9745855

CCCc1c(O)cc(-c2ccccc2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
BACE1 P56817 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
PPARG P37231 2/20 0.40
MCL1 Q07820 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
SCHEMBL9747271 0.89 NPC1 (0.58) ALOX5HPGDHTTNPC1MAPK1
SCHEMBL9747943 0.83 POLB (0.51) ALOX5HPGDHTTSMN1; SMN2POLB
SCHEMBL2879317 0.78 BACE1 (0.50) ALOX5HPGDCNR1CNR2SMN1; SMN2
SCHEMBL28166881 0.78 ALDH1A1 (0.42) HPGDNPC1RAB9ASMN1; SMN2BACE1
SCHEMBL1022126 0.76 PTPN1 (0.47) ALOX5HPGDSMN1; SMN2BACE1CRHBP
SCHEMBL19386822 0.76 ALDH1A1 (0.41) HPGDNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL918449 0.76 AHR (0.54) ALOX5HPGDHTTNPC1MAPK1
SCHEMBL6468960 0.76 AHR (0.54) ALOX5HPGDHTTNPC1MAPK1
SCHEMBL6468964 0.76 AHR (0.54) ALOX5HPGDHTTNPC1MAPK1
SCHEMBL7039242 0.75 BACE1 (0.47) ALOX5HPGDCNR1CNR2SMN1; SMN2

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