SCHEMBL9596147

SCHEMBL9596147

CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
LMNA P02545 1/20 0.49
PKM P14618 1/20 0.49
HDAC8 Q9BY41 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SPR P35270 1/20 0.46
ACE P12821 3/20 0.45
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP8 P22894 4/20 0.43
MMP3 P08254 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL18711805 0.89 POLB (0.65) POLBCYP3A4CYP2C19LMNAPKM
SCHEMBL14183936 0.85 HDAC8 (0.62) POLBCYP3A4CYP2C19HDAC8
SCHEMBL18711811 0.85 POLB (0.61) POLBCYP3A4CYP2C19LMNAPKM
SCHEMBL9572242 0.82 NPSR1 (0.64) POLBCYP3A4CYP2C19LMNAHDAC8
SCHEMBL9572243 0.82 NPSR1 (0.64) POLBCYP3A4CYP2C19LMNAHDAC8
SCHEMBL7966652 0.81 POLB (0.59) POLBCYP3A4CYP2C19LMNATDP1
SCHEMBL7980018 0.81 POLB (0.59) POLBCYP3A4CYP2C19LMNATDP1
SCHEMBL7270113 0.80 POLB (0.56) POLBCYP3A4CYP2C19LMNAPKM
SCHEMBL12871199 0.80 POLB (0.55) POLBCYP3A4CYP2C19HDAC8TDP1
SCHEMBL8908771 0.79 ACE (0.61) POLBLMNATDP1ACEALDH1A1

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
WO-1993001174-A1 THIAZOLIDINE DERIVATIVES AND THEIR USE AS ANTI-VIRAL COMPOUNDS GLAXO GROUP LIMITED (GB) 1993-01-21 WO disclosed