SCHEMBL9243997

SCHEMBL9243997

COC12CCC(c3ccc(COC(C)(C)C(=O)Cl)cc3)(CC1)CC2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 9/20 0.35
SLC16A1 P53985 6/20 0.35
MCTS1 Q9ULC4 5/20 0.35
HSD11B1 P28845 2/20 0.32
FFAR4 Q5NUL3 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RORC P51449 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
SCHEMBL8747895 0.88 SLC16A3 (0.43) SLC16A3SLC16A1MCTS1
Hydrochloric Acid SCHEMBL9244003 0.87 SLC16A3 (0.42) SLC16A3SLC16A1MCTS1
SCHEMBL9244843 0.87 SLC16A3 (0.37) SLC16A3SLC16A1MCTS1HSD11B1RORC
SCHEMBL9247502 0.84 PPARA (0.36)
SCHEMBL9247301 0.80 ADORA3 (0.43) SLC16A3SLC16A1MCTS1FFAR4RORC
SCHEMBL9248163 0.79 SLC16A3 (0.38) SLC16A3SLC16A1MCTS1HSD11B1FFAR4
SCHEMBL8748101 0.78 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9248341 0.76 SLC16A3 (0.41) SLC16A3SLC16A1MCTS1
SCHEMBL9245590 0.76 PPARA (0.38) SLC16A3SLC16A1MCTS1
SCHEMBL9251152 0.76 SLC16A3 (0.41) SLC16A3SLC16A1MCTS1

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
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed