SCHEMBL29367948

SCHEMBL29367948

COC(=O)c1cnc(-c2ccc(C(C)(C)C)cc2)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TDO2 P48775 1/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL22712485 1.00 MAPT (0.46) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16635454 0.88 CFTR (0.47) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL25148607 0.83 LDHA (0.54) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL30364708 0.83 LDHA (0.54) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL16635658 0.80 MAPT (0.43) MAPTGAAPDK2
SCHEMBL3342506 0.77 KMO (0.48) MAPTRAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL23605339 0.76 SMN1; SMN2 (0.48) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL17816222 0.76 MAPT (0.45) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL29678882 0.76 RAB9A (0.57) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL22712440 0.75 MAPT (0.40) MAPTRAB9ASMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215923-B Macrocyclic broad-spectrum antibiotics 豪夫迈·罗氏有限公司 2026-05-19 CN disclosed
CN-115215923-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-10-21 CN disclosed
CN-114007605-B Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-07-15 CN disclosed
CN-114007605-A Macrocyclic broad spectrum antibiotics 豪夫迈·罗氏有限公司 2022-02-01 CN disclosed