SCHEMBL8200330

SCHEMBL8200330

CCc1cc(C(=O)NC(Cc2ccccc2)C2=COCO2)c(NC(=O)C2CCC(C(=O)O)CC2)s1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
HIF1A Q16665 1/20 0.45
REV1 Q9UBZ9 2/20 0.40
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
F11 P03951 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GRIN2C Q14957 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 1/20 0.33

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
SCHEMBL8200017 0.94 MAPT (0.46) MAPTGAAPOLBHIF1AREV1
SCHEMBL7881616 0.91 LMNA (0.36) MAPTGAAPOLBHIF1AREV1
SCHEMBL8200147 0.85 REV1 (0.38) MAPTGAAPOLBHIF1AREV1
SCHEMBL8211924 0.85 F11 (0.36) MAPTGAAPOLBHIF1AALDH1A1
SCHEMBL8207755 0.85 GRIN2C (0.48) MAPTGAAPOLBALDH1A1NPSR1
SCHEMBL8200396 0.83 ALDH1A1 (0.44) MAPTGAAPOLBALDH1A1NPSR1
SCHEMBL8207229 0.81 ALOX15 (0.40) MAPTGAAALDH1A1NPSR1HTT
SCHEMBL8200088 0.79 FLT3 (0.44) MAPTALDH1A1LMNAKDM4EMEN1
SCHEMBL8206045 0.78 GRIN2C (0.39) MAPTPOLBALDH1A1HTTKDM4E
SCHEMBL8212952 0.78 GAA (0.55) MAPTGAAPOLBHIF1AREV1

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-6143777-A ENZYME INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-11-07 US disclosed