SCHEMBL9250153

SCHEMBL9250153

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.35
SLC16A1 P53985 2/20 0.35
SLC1A3 P43003 3/20 0.35
SLC1A2 P43004 3/20 0.35
SLC1A1 P43005 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARA Q07869 4/20 0.33
PPARG P37231 3/20 0.33
HSD11B1 P28845 1/20 0.32
FFAR4 Q5NUL3 1/20 0.31
LDHA P00338 1/20 0.31
MAPK1 P28482 1/20 0.30
CCR1 P32246 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
SCHEMBL9248972 0.77 CA2 (0.42) HSD11B1
SCHEMBL9244835 0.75 SLC16A3 (0.41) SLC16A3SLC16A1KMT2AMEN1HSD11B1
Hydrochloric Acid SCHEMBL9244003 0.75 SLC16A3 (0.42) SLC16A3SLC16A1
SCHEMBL9248163 0.74 SLC16A3 (0.38) SLC16A3SLC16A1KMT2AMEN1HSD11B1
SCHEMBL9247301 0.73 ADORA3 (0.43) SLC16A3SLC16A1FFAR4
SCHEMBL27830644 0.73 SLC7A5 (0.47) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL9243997 0.73 SLC16A3 (0.35) SLC16A3SLC16A1HSD11B1FFAR4
SCHEMBL31234585 0.72 LDHA (0.59) PPARAPPARGLDHA
SCHEMBL8520688 0.72 LDHA (0.59) PPARAPPARGLDHA
SCHEMBL4005029 0.72 LDHA (0.59) PPARAPPARGLDHA

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