SCHEMBL11320182

SCHEMBL11320182

CCOC(C)OCC.O=Cc1ccccc1Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.68
GAA P10253 2/20 0.68
KMT2A Q03164 1/20 0.68
ALDH1A1 P00352 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.51
HTT P42858 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TLR4 O00206 1/20 0.42
TLR2 O60603 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
TSHR P16473 1/20 0.40
TTR P02766 1/20 0.39
POLB P06746 1/20 0.39
LTA4H P09960 1/20 0.38
SRC P12931 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL7762674 0.83 ALDH1A1 (0.52) LMNAGAAKMT2AALDH1A1CYP1A2
Ortho-Phthalaldehyde SCHEMBL2474511 0.82 LMNA (0.52) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL95238 0.82 LMNA (1.00) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL29361707 0.82 LMNA (1.00) LMNAGAAKMT2AALDH1A1CYP1A2
Benzene SCHEMBL27888748 0.82 LMNA (1.00) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL31241187 0.79 LMNA (0.92) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL1200434 0.78 LMNA (0.68) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL28879721 0.78 LMNA (0.65) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL31599176 0.77 LMNA (0.88) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL9475263 0.77 NPSR1 (0.44) LMNAGAAALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0064658-A1 Substituted phenoxybenzaldehyde acetals, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1982-11-17 EP disclosed
EP-0064658-A1 Substituted phenoxybenzaldehyde acetals, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1982-11-17 EP disclosed