SCHEMBL29865705

SCHEMBL29865705

CC(C)(C)OC(=O)c1ccc(NC(=O)[C@@H]2C[C@H](c3ccccc3)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTRA1 Q92743 1/20 0.56
NPC1 O15118 1/20 0.52
GRIN2B Q13224 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NAMPT P43490 1/20 0.43
S1PR1 P21453 2/20 0.43
HDAC8 Q9BY41 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ELANE P08246 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL29968398 0.83 HTRA1 (0.52) HTRA1NPC1MEN1KMT2ACYP3A4
SCHEMBL30147198 0.81 HTRA1 (0.66) HTRA1MEN1KMT2ACYP3A4POLB
SCHEMBL7307343 0.81 HTRA1 (0.63) HTRA1NPC1MEN1KMT2ACYP3A4
SCHEMBL29865605 0.80 NPC1 (0.56) NPC1MEN1KMT2ACYP3A4POLB
SCHEMBL1243964 0.79 HTRA1 (0.60) HTRA1MEN1KMT2ACYP3A4POLB
SCHEMBL2239296 0.79 HTRA1 (0.60) HTRA1MEN1KMT2ACYP3A4POLB
SCHEMBL5201925 0.79 HTRA1 (0.60) HTRA1MEN1KMT2ACYP3A4POLB
SCHEMBL205497 0.79 HTRA1 (0.60) HTRA1MEN1KMT2ACYP3A4POLB
SCHEMBL4195796 0.79 HTRA1 (0.60) HTRA1MEN1KMT2ACYP3A4POLB
SCHEMBL9543379 0.79 HTRA1 (0.60) HTRA1MEN1KMT2ACYP3A4POLB

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-115066417-B Factor XIa inhibitors 上海京新生物医药有限公司 2025-05-02 CN disclosed
CN-115066417-A Factor XIa inhibitors 上海京新生物医药有限公司 2022-09-16 CN disclosed