SCHEMBL22154247

SCHEMBL22154247

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)CC(C)(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 7/20 0.47
MCL1 Q07820 1/20 0.47
CTSV O60911 4/20 0.45
CTSL P07711 4/20 0.45
ATM Q13315 1/20 0.45
PPARA Q07869 2/20 0.43
PDCD1 Q15116 2/20 0.41
CD274 Q9NZQ7 2/20 0.41
PPARG P37231 1/20 0.41
SYK P43405 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
SCHEMBL28642378 1.00 BCL2 (0.47) BCL2MCL1CTSVCTSLATM
SCHEMBL22120986 0.93 BCL2 (0.47) BCL2MCL1ATMPPARAPPARG
SCHEMBL29919587 0.83 BCL2 (0.47) BCL2MCL1CTSVCTSLATM
SCHEMBL28639840 0.82 CTSV (0.48) CTSVCTSLPDCD1CD274
SCHEMBL22154560 0.82 CTSV (0.48) CTSVCTSLPDCD1CD274
SCHEMBL22154553 0.81 BCL2 (0.41) BCL2MCL1CTSVCTSLATM
SCHEMBL31232684 0.81 BCL2 (0.41) BCL2MCL1CTSVCTSLATM
SCHEMBL29162420 0.80 ACE (0.54) BCL2MCL1CTSLPPARAPPARG
SCHEMBL22154815 0.79 ATM (0.67) CTSLATMPPARAPPARGSYK
SCHEMBL22154817 0.79 ATM (0.67) CTSLATMPPARAPPARGSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118027137-A Tubulysin and protein-tubulysin conjugates 里珍纳龙药品有限公司 2024-05-14 CN disclosed
CN-113454097-A Tubulysins and protein-tubulysin conjugates 里珍纳龙药品有限公司 2021-09-28 CN disclosed
WO-2020132658-A2 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2020-06-25 WO disclosed