SCHEMBL11270729

SCHEMBL11270729

COc1cc(C(=O)OC(COc2ccc(Cl)cc2)C(=O)NC(C)C)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 1/20 0.40
PTBP1 P26599 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 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
SCHEMBL11255765 0.78 PPARG (0.47) KMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL11265752 0.70 MEN1 (0.49) KMT2AALDH1A1MAPK1THRBSMN1; SMN2
SCHEMBL26922968 0.68 MAPT (0.51) LMNAMAPTKMT2AALDH1A1POLB
SCHEMBL11468295 0.67 KMT2A (0.57) MAPTKMT2AALDH1A1ALOX12MAPK1
SCHEMBL13753811 0.67 ALDH1A1 (0.74) LMNAKMT2AALDH1A1ALOX12POLB
SCHEMBL27921550 0.67 KMT2A (0.60) MAPTKMT2AALDH1A1ALOX12MAPK1
SCHEMBL11258444 0.66 MTNR1A (0.56) LMNAMAPTPOLB
SCHEMBL18265304 0.65 TPMT (0.45) LMNAMAPTKMT2AALDH1A1POLB
SCHEMBL2612567 0.64 PTPN1 (0.68) LMNAKMT2AMAPK1SMN1; SMN2MEN1
SCHEMBL2612552 0.64 SLC29A1 (0.54) LMNAKMT2AMAPK1SMN1; SMN2MEN1

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-4332959-A STARTING WITH PHENOXYACETALDEHYDE AND ALKALI METAL CYANIDE SUCRERIES DU SOISSONNAIS ET COMPAGNIE SUCRIERE (FR) 1982-06-01 US disclosed