SCHEMBL11301738

SCHEMBL11301738

CCCCCCOc1ccccc1Oc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.66
NR1I2 O75469 2/20 0.51
CHRM2 P08172 2/20 0.51
ADRA2A P08913 2/20 0.51
OPRK1 P41145 2/20 0.51
HTR2B P41595 2/20 0.51
SLC6A3 Q01959 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MLNR O43193 1/20 0.49
ESR1 P03372 1/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL276735 0.98 LTA4H (0.68) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL6933945 0.89 LMNA (0.57) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL28300288 0.87 LTA4H (0.55) LTA4HMEN1MAPTKMT2ASLC6A2
SCHEMBL19612247 0.87 LTA4H (0.58) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL2859001 0.87 LMNA (0.62) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL2245919 0.87 LMNA (0.62) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL1964196 0.87 LMNA (0.62) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL9387360 0.87 LMNA (0.62) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL9394792 0.87 LMNA (0.62) LTA4HNR1I2CHRM2ADRA2AOPRK1
SCHEMBL30620186 0.87 LMNA (0.62) LTA4HNR1I2CHRM2ADRA2AOPRK1

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-4278816-A FROM DIPHENYL ETHERS AND HYDROGEN SULFIDE, ABSORPTIVE CATALYST STAUFFER CHEMICAL COMPANY (US) 1981-07-14 US disclosed