SCHEMBL11505745

SCHEMBL11505745

c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOc1ccccc1OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
CRHBP P24387 2/20 1.00
CRHR2 Q13324 2/20 1.00
HTT P42858 2/20 1.00
ITGB2 P05107 1/20 0.82
ICAM1 P05362 1/20 0.82
ITGAL P20701 1/20 0.82
GAA P10253 2/20 0.65
ABCG2 Q9UNQ0 1/20 0.55
KDM4E B2RXH2 3/20 0.55
MAPT P10636 5/20 0.54
BLM P54132 1/20 0.54
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL687476 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL676131 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL35765 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL35679 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL11505395 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL23658043 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL10425464 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL603441 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL8026205 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT
SCHEMBL16076325 1.00 LMNA (1.00) LMNASMN1; SMN2CRHBPCRHR2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4175093-A REACTING AN AROMATIC ALDEHYDE AND AN ACYL HALIDE WITH A CYANIDE, ADDING 1A CARBONATES OR HYDROXIDES TO RESTART SHELL OIL COMPANY (US) 1979-11-20 US disclosed
US-4175094-A REACTING AN AROMATIC ALDEHYDE AND AN ACID ANHYDRIDE SHELL OIL COMPANY (US) 1979-11-20 US disclosed
US-4110363-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, MACROCYCLIC POLYETHER CATALYST SHELL OIL COMPANY (US) 1978-08-29 US disclosed
US-4110360-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE SHELL OIL COMPANY (US) 1978-08-29 US disclosed