SCHEMBL8501576

SCHEMBL8501576

O=C(NC(O)CCO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
SLC1A2 P43004 1/20 0.50
PRKACA P17612 1/20 0.48
CDK8 P49336 1/20 0.48
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
PRKX P51817 1/20 0.48
PRKCQ Q04759 1/20 0.48
ROCK1 Q13464 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
GAA P10253 1/20 0.47
CTRB1 P17538 6/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.46
EPHX2 P34913 1/20 0.46

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
SCHEMBL3938164 0.89 HPGD (0.47) HPGDSLC1A2PRKACACDK8GSK3A
SCHEMBL28453112 0.82 FOLH1 (0.44) PRKACACDK8GSK3AGSK3BPRKX
SCHEMBL27574603 0.82 HPGD (0.69) HPGDCTRB1RAB9ASMN1; SMN2MEN1
SCHEMBL28443884 0.80 HDAC1 (0.46) HPGDHDAC1HDAC2
SCHEMBL28767456 0.80 LMNA (0.53) HPGDSLC1A2PRKACACDK8GSK3A
SCHEMBL9829488 0.80 SLC1A2 (0.53) HPGDSLC1A2LMNACA1IDO1
SCHEMBL3940642 0.80 CTRB1 (0.53) HPGDSLC1A2PRKACACDK8GSK3A
SCHEMBL3941746 0.80 CTRB1 (0.53) HPGDSLC1A2PRKACACDK8GSK3A
SCHEMBL29167801 0.80 CTRB1 (0.53) HPGDSLC1A2PRKACACDK8GSK3A
SCHEMBL9829492 0.80 SLC1A2 (0.53) HPGDSLC1A2LMNACA1IDO1

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-5962440-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1999-10-05 US disclosed