SCHEMBL9534744

SCHEMBL9534744

COc1ccc(N2C(=O)C(N3C(=O)C(OCc4ccccc4)C(OCc4ccccc4)C3=O)C2/C=C/c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.43
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
AVPR1A P37288 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 2/20 0.39
MAOB P27338 1/20 0.38
TRPA1 O75762 1/20 0.38
MAPT P10636 5/20 0.37
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
APP P05067 1/20 0.37
SNCA P37840 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALOX12 P18054 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
SCHEMBL10672053 1.00 SOAT1 (0.43) SOAT1GSK3BBACE1AVPR1AMEN1
SCHEMBL9534753 1.00 SOAT1 (0.43) SOAT1GSK3BBACE1AVPR1AMEN1
SCHEMBL13778892 0.82 SOAT1 (0.46) SOAT1MEN1KMT2ATSHRMAPT
SCHEMBL21944494 0.81 TRPA1 (0.41) SOAT1MEN1KMT2ATSHRMAOB
SCHEMBL18716240 0.81 TRPA1 (0.41) SOAT1MEN1KMT2ATSHRMAOB
SCHEMBL17303910 0.81 TRPA1 (0.41) SOAT1MEN1KMT2ATSHRMAOB
SCHEMBL10546219 0.80 RAB9A (0.49) SOAT1AVPR1AMEN1KMT2ATRPA1
SCHEMBL10513571 0.80 RAB9A (0.49) SOAT1AVPR1AMEN1KMT2ATRPA1
SCHEMBL10546195 0.80 RAB9A (0.49) SOAT1AVPR1AMEN1KMT2ATRPA1
SCHEMBL10513582 0.80 RAB9A (0.49) SOAT1AVPR1AMEN1KMT2ATRPA1

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
EP-0252744-B1 3-Beta-(3,4-disubstituted succinimido)azetidinones LILLY CO ELI (US) 1993-12-15 EP disclosed