SCHEMBL18780944

SCHEMBL18780944

CC(C)(C)OC(=O)C1(CCC(=O)OCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.41
SYK P43405 1/20 0.40
P4HB P07237 1/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
NOTUM Q6P988 1/20 0.39
KLK7 P49862 1/20 0.38
KLK5 Q9Y337 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL23956955 0.82 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNADDB1
SCHEMBL22085965 0.82 L3MBTL1 (0.47) ALDH1A1L3MBTL1P4HB
SCHEMBL7332893 0.79 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1LMNASYK
SCHEMBL2811577 0.78 LMNA (0.48) ALDH1A1MAPK1L3MBTL1LMNAP4HB
SCHEMBL31480725 0.77 SYK (0.39) ALDH1A1SYKDDB1CRBNMEN1
SCHEMBL8779517 0.77 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1LMNADDB1
SCHEMBL31480812 0.77 SYK (0.51) MAPK1L3MBTL1LMNASYKKLK7
SCHEMBL22481266 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNASYK
SCHEMBL12990128 0.76 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1LMNASYK
SCHEMBL23956985 0.76 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1SYKDDB1

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
WO-2021213492-A1 DRUG-CARRYING MACROMOLECULE AND PREPARATION METHOD THEREFOR 上海森辉医药有限公司 (CN) 2021-10-28 WO disclosed
WO-2017069270-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND 大正製薬株式会社 2017-04-27 WO disclosed