SCHEMBL21557060

SCHEMBL21557060

CC(C)[C@@H](C(N)=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
SLC7A5 Q01650 1/20 0.33
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
DPP4 P27487 1/20 0.30

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
SCHEMBL12884531 1.00 CA1 (0.36) CA1CA2CA7CA14SLC7A5
SCHEMBL13588555 1.00 CA1 (0.36) CA1CA2CA7CA14SLC7A5
SCHEMBL14266212 0.88 LMNA (0.35) CA1CA2CA7CA14SLC7A5
SCHEMBL24634162 0.83 CA1 (0.31) CA1CA2CA7CA14SLC7A5
SCHEMBL12868864 0.78 SLC7A5 (0.31) SLC7A5EPHX1
SCHEMBL12868891 0.78 SLC7A5 (0.31) SLC7A5EPHX1
SCHEMBL18826567 0.78 ALDH1A1 (0.37) SLC7A5
SCHEMBL12868871 0.78 SLC7A5 (0.31) SLC7A5EPHX1
SCHEMBL19103688 0.78
SCHEMBL22751128 0.78 EPHX1 (0.31) EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2877173-B1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS JENRIN DISCOVERY INC (US) 2019-11-13 EP disclosed