SCHEMBL11275635

SCHEMBL11275635

CCc1c2cccccc-2n(CC(=O)O)c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALOX15 P16050 1/20 0.42
GLA P06280 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CASR P41180 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL11265517 0.78 APEX1 (0.45) APEX1CA12CA9GLAKDM4E
SCHEMBL11272059 0.78 APEX1 (0.47) APEX1CA12CA9GLAKDM4E
SCHEMBL11282506 0.76 ALDH1A1 (0.51) CA12CA9KDM4EMEN1KMT2A
SCHEMBL11275890 0.75 ALDH1A1 (0.51) APEX1CA12CA9GLAKDM4E
SCHEMBL11270472 0.75 CA12 (0.45) APEX1CA12CA9ALOX15GLA
SCHEMBL11280487 0.67 KDM4E (0.42) APEX1CA12CA9GLAKDM4E
SCHEMBL18180193 0.66 APEX1 (0.77) APEX1GLAKDM4EMEN1KMT2A
SCHEMBL11271085 0.66 ALDH1A1 (0.52) CA12CA9KDM4EMEN1KMT2A
SCHEMBL11277993 0.66 ALDH1A1 (0.52) CA12CA9KDM4EMEN1KMT2A
SCHEMBL4559216 0.66 ALDH1A1 (0.62) APEX1GLAKDM4EALDH1A1

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-4337265-A COMPLICATIONS OF DIABETES AYERST, MCKENNA & HARRISON INC. (CA) 1982-06-29 US claimed