SCHEMBL7813698

SCHEMBL7813698

CC(C)(C)OC(=O)CC(N)(Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
ARG1 P05089 1/20 0.47
ARG2 P78540 1/20 0.47
SLC6A2 P23975 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
BLM P54132 1/20 0.41
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP1A2 P05177 1/20 0.38
RECQL P46063 1/20 0.38
AKT1 P31749 2/20 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
SCHEMBL26931972 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL7280321 0.81 HIF1A (0.43) SMN1; SMN2HIF1ASLC6A2TAAR1PPARG
SCHEMBL418231 0.79 ALDH1A1 (0.46) SMN1; SMN2SLC6A2ALDH1A1MAPK1
SCHEMBL1842425 0.79 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL11265744 0.79 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL12583604 0.79 HIF1A (0.60) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL8351006 0.78 SMN1; SMN2 (0.69) SMN1; SMN2HIF1AARG1ARG2SLC6A2
SCHEMBL7611236 0.78 MAPT (0.36) SMN1; SMN2HIF1AMMP8MAPK1
SCHEMBL12874139 0.77 ALDH1A1 (0.46) SLC6A2ALDH1A1MAPK1
SCHEMBL27644345 0.77 BLM (0.40) SMN1; SMN2HIF1AARG1ARG2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101677540-A Herbicidally effective composition EIKE HUPE 2010-03-24 CN disclosed
EP-1127055-A2 STEREOSELECTIVE PROCESS FOR PRODUCING CRYPTOPHYCINS ELI LILLY AND COMPANY (US) 2001-08-29 EP disclosed
WO-2000034252-A2 PROCESS FOR THE PREPARATION OF CRYPTOPHYCIN DERIVATIVES ELI LILLY AND COMPANY (US) 2000-06-15 WO disclosed
WO-2000034253-A2 INTERMEDIATES AND REACTION SEQUENCE TO PRODUCE SAID INTERMEDIATES USEFUL FOR THE PREPARATION OF ANTINEOPLASTIC AND ANTIFUNGAL CRYPTOPHYCIN DERIVATIVES ELI LILLY AND COMPANY (US) 2000-06-15 WO disclosed
WO-2000023429-A2 STEREOSELECTIVE PROCESS FOR PRODUCING CRYPTOPHYCINS ELI LILLY AND COMPANY (US) 2000-04-27 WO disclosed