SCHEMBL11606405

SCHEMBL11606405

CCCCCCCCCCCCCCCCCCOc1ccc(O)c(CC)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.59
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
CNR2 P34972 6/20 0.52
LTA4H P09960 1/20 0.51
PLA2G4B P0C869 1/20 0.51
CNR1 P21554 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
SCHEMBL26334343 1.00 NR5A1 (0.59) NR5A1TP53TSHRCNR2LTA4H
SCHEMBL25329497 0.95 ESR1 (0.53) NR5A1TSHRCNR2LTA4H
SCHEMBL11801680 0.89 CNR2 (0.61) NR5A1TSHRCNR2LTA4HCNR1
SCHEMBL11544796 0.89 CNR2 (0.58) NR5A1TSHRCNR2LTA4HCNR1
SCHEMBL11599403 0.89 CNR2 (0.58) NR5A1TSHRCNR2LTA4HCNR1
SCHEMBL28074252 0.89 CNR2 (0.58) NR5A1TSHRCNR2LTA4HCNR1
SCHEMBL12476088 0.88 LTA4H (0.50) LTA4H
SCHEMBL224134 0.87 CNR2 (0.59) NR5A1TP53TSHRCNR2CNR1
SCHEMBL11799012 0.87 CNR2 (0.59) NR5A1TP53TSHRCNR2CNR1
SCHEMBL11796028 0.87 CNR2 (0.59) NR5A1TP53TSHRCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4098846-A IMPACT STRENGTH GENERAL ELECTRIC COMPANY (US) 1978-07-04 US disclosed
US-4054553-A MANGANESE COMPLEX CATALYST GENERAL ELECTRIC COMPANY (US) 1977-10-18 US disclosed
US-3972851-A Preparation of polyphenylene oxide using a manganese(II) ortho-hydroxyarene-oxime chelate reaction promoter GENERAL ELECTRIC COMPANY (US) 1976-08-03 US disclosed
US-3965069-A Polyphenylene oxide is prepared using a mixture of manganese chelates as a catalyst GENERAL ELECTRIC COMPANY (US) 1976-06-22 US disclosed
US-3956242-A Preparation of polyphenylene oxide using a manganese (II) ω-hydroxyoxime chelate reaction promoter GENERAL ELECTRIC COMPANY (US) 1976-05-11 US disclosed