SCHEMBL8212952

SCHEMBL8212952

CCc1cc(C(=O)NCc2ccccc2)c(NC(=O)C2CCC(C(=O)O)CC2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.55
HIF1A Q16665 1/20 0.55
REV1 Q9UBZ9 2/20 0.48
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 3/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
GRIN2C Q14957 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
HDAC1 Q13547 1/20 0.40
OGA O60502 1/20 0.39

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
SCHEMBL8212725 0.92 GAA (0.56) GAAMAPTPOLBHIF1AREV1
SCHEMBL7420721 0.91 POLB (0.53) GAAMAPTPOLBHIF1AREV1
Bicarbonate SCHEMBL7889270 0.91 GAA (0.52) GAAMAPTPOLBHIF1AREV1
SCHEMBL7424975 0.90 GAA (0.50) GAAMAPTPOLBHIF1AREV1
SCHEMBL7892987 0.90 GAA (0.53) GAAMAPTPOLBHIF1AREV1
SCHEMBL7890839 0.87 ALDH1A1 (0.45) GAAMAPTPOLBHIF1AREV1
SCHEMBL7424534 0.87 MAPT (0.47) GAAMAPTPOLBHIF1AREV1
SCHEMBL7888442 0.86 POLB (0.52) GAAMAPTPOLBHIF1AREV1
SCHEMBL8200327 0.86 KMT2A (0.52) GAAMAPTPOLBHIF1AALDH1A1
SCHEMBL7892994 0.85 USP2 (0.45) MAPTNPSR1ALDH1A1USP2HPGD

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