SCHEMBL28645249

SCHEMBL28645249

CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 9/20 0.50
KLK7 P49862 1/20 0.48
PARP1 P09874 1/20 0.46
CTSL P07711 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GHSR Q92847 2/20 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
SCHEMBL18084492 1.00 FKBP1A (0.50) FKBP1AKLK7PARP1CTSLMEN1
SCHEMBL933969 1.00 FKBP1A (0.50) FKBP1AKLK7PARP1CTSLMEN1
SCHEMBL18084467 0.89 KLK7 (0.48) FKBP1AKLK7PARP1CTSLMEN1
SCHEMBL935047 0.89 KLK7 (0.48) FKBP1AKLK7PARP1CTSLMEN1
SCHEMBL6787776 0.88 FKBP1A (0.49) FKBP1AKLK7PARP1CTSLPDK1
SCHEMBL204505 0.88 FKBP1A (0.49) FKBP1AKLK7PARP1CTSLPDK1
SCHEMBL204506 0.88 FKBP1A (0.49) FKBP1AKLK7PARP1CTSLPDK1
SCHEMBL29447560 0.86 FKBP1A (0.58) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL7404715 0.86 FKBP1A (0.58) FKBP1AKLK7CTSLMEN1KMT2A
SCHEMBL5970730 0.84 KLK7 (0.66) FKBP1AKLK7MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114599372-A Combination therapy for the treatment of cancer 阿斯利康(瑞典)有限公司 2022-06-07 CN disclosed
CN-113395996-A Arginase inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-09-14 CN disclosed