SCHEMBL11307347

SCHEMBL11307347

CC(C)C(C(=O)O)(C(C)C=C(Cl)Cl)C(NS)c1nc(Oc2ccccc2)cc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 3/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EGLN2 Q96KS0 5/20 0.31
PLA2G10 O15496 2/20 0.31
EGLN1 Q9GZT9 2/20 0.30

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
SCHEMBL11304139 0.85 ALDH1A1 (0.35) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL11276788 0.84 SMN1; SMN2 (0.34) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL11299884 0.84 MEN1 (0.33) MEN1KMT2ALMNAEGLN2EGLN1
SCHEMBL11307854 0.80 BRAF (0.34) ALDH1A1GAAHPGDKDM4EMAPT
SCHEMBL11335209 0.78 PTGS1 (0.45) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL11266024 0.74 ALDH1A1 (0.35) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL11273014 0.73 PLA2G10 (0.36) ALDH1A1HPGDKDM4EHSD17B10L3MBTL1
SCHEMBL11305859 0.72 SCN9A (0.34) GAAHPGDL3MBTL1MEN1KMT2A
SCHEMBL11332930 0.71 PTGS1 (0.44) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL11272213 0.71 ALDH1A1 (0.33) ALDH1A1MEN1KMT2ALMNAEGLN2

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-4338326-A PESTICIDES UNION CARBIDE CORPORATION (US) 1982-07-06 US disclosed