SCHEMBL30672178

SCHEMBL30672178

COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CSC)CN1C(=O)OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
PARP1 P09874 1/20 0.42
FKBP1A P62942 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 1/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KLK7 P49862 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TP53 P04637 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
SCHEMBL21100002 0.86 PDK1 (0.49) ABCB1HTTPOLBPARP1FKBP1A
SCHEMBL30672177 0.85 NR1H2 (0.46) ABCB1HTTPOLBPARP1FKBP1A
SCHEMBL29121558 0.85 ABCB1 (0.42) ABCB1HTTPOLBPARP1FKBP1A
SCHEMBL30672182 0.85 NR1H2 (0.45) ABCB1HTTPOLBPARP1FKBP1A
SCHEMBL1864842 0.83 POLB (0.52) HTTPOLBFKBP1ANPSR1MITF
SCHEMBL7802196 0.83 POLB (0.52) HTTPOLBFKBP1ANPSR1MITF
SCHEMBL2300448 0.83 POLB (0.52) HTTPOLBFKBP1ANPSR1MITF
SCHEMBL8332542 0.82 FKBP1A (0.51) ABCB1PARP1FKBP1APDK1PDK2
SCHEMBL17893034 0.82 FKBP1A (0.51) ABCB1PARP1FKBP1APDK1PDK2
SCHEMBL17896181 0.82 FKBP1A (0.51) ABCB1PARP1FKBP1APDK1PDK2

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
CN-117222654-A KRAS G12C inhibitors and uses thereof 苏州赞荣医药科技有限公司 2023-12-12 CN disclosed