SCHEMBL7938486

SCHEMBL7938486

CC(C)(C)OC(=O)NC1(C(=O)O)CC(COCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.45
CTSS P25774 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
PPARG P37231 1/20 0.41
KLK7 P49862 2/20 0.41
KLK5 Q9Y337 2/20 0.41
SYK P43405 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
AKT1 P31749 2/20 0.39
CTSL P07711 1/20 0.38
BUB1 O43683 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL7936536 0.91 PPARA (0.43) PPARACTSSCA12CA1CA7
SCHEMBL20341630 0.88 PPARA (0.41) PPARACTSSCA12CA1CA7
SCHEMBL22414341 0.88 PPARA (0.41) PPARACTSSCA12CA1CA7
SCHEMBL18506745 0.84 PPARA (0.43) PPARACTSSCA12CA1CA7
SCHEMBL5237487 0.83 KMT2A (0.43) PPARACTSSCA12CA1CA7
SCHEMBL14416216 0.83 KMT2A (0.43) PPARACTSSCA12CA1CA7
SCHEMBL18506733 0.83 PPARA (0.45) PPARACTSSCA12CA1CA7
SCHEMBL18506639 0.83 CTSS (0.47) PPARACTSSCA12CA1CA7
SCHEMBL14409095 0.82 AGTR2 (0.42) CTSLBUB1EPHX2
SCHEMBL18506738 0.81 PPARA (0.43) PPARACTSSCA12CA1CA7

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
EP-0862464-A4 AMINO ACID ANALOGS FOR TUMOR IMAGING UNIV EMORY (US) 2001-07-25 EP disclosed
US-5817776-A TECHNETIUM 99 COMPLEXES, SINGLE PHOTON EMISSION TOMOGRAPHY EMORY UNIVERSITY (US) 1998-10-06 US disclosed
EP-0862464-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1998-09-09 EP disclosed
WO-1997017092-A1 AMINO ACID ANALOGS FOR TUMOR IMAGING EMORY UNIVERSITY (US) 1997-05-15 WO disclosed