SCHEMBL11211082

SCHEMBL11211082

CCCCCCOc1ccc2c(OCCCCCC)ccc(O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.53
ESR1 P03372 3/20 0.48
LTA4H P09960 1/20 0.46
SMPD1 P17405 1/20 0.46
CNR2 P34972 2/20 0.45
TSHR P16473 2/20 0.44
HTR1B P28222 2/20 0.44
TP53 P04637 1/20 0.44
ALDH2 P05091 1/20 0.44
PLA2G4B P0C869 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL11209737 0.92 CYSLTR2 (0.47) NR5A1ESR1SMPD1CNR2PLA2G4B
SCHEMBL11209459 0.85 ESR1 (0.51) NR5A1ESR1SMPD1CNR2MEN1
SCHEMBL11218576 0.84 KCNA3 (0.48) NR5A1ESR1SMPD1CNR2MEN1
SCHEMBL4961743 0.83 NR5A1 (0.66) NR5A1ESR1LTA4HCNR2TSHR
SCHEMBL4957844 0.83 NR5A1 (0.66) NR5A1ESR1LTA4HCNR2TSHR
SCHEMBL4963128 0.83 NR5A1 (0.66) NR5A1ESR1LTA4HCNR2TSHR
SCHEMBL11758938 0.83 NR5A1 (0.61) NR5A1ESR1LTA4HSMPD1CNR2
SCHEMBL4963096 0.83 NR5A1 (0.66) NR5A1ESR1LTA4HCNR2TSHR
SCHEMBL2091707 0.83 NR5A1 (0.61) NR5A1ESR1LTA4HSMPD1CNR2
SCHEMBL4960102 0.83 NR5A1 (0.66) NR5A1ESR1LTA4HCNR2TSHR

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-4419439-A ALKOXYNAPHTHOL DEVELOPER FUJI PHOTO FILM CO., LTD. (JP) 1983-12-06 US disclosed