SCHEMBL11249627

SCHEMBL11249627

CC[C@@](OCc1ccc(-c2ccc(Cl)cc2)cc1)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.46
▸ PPARG P37231 5/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SLC16A3 O15427 3/20 0.41
▸ SLC16A1 P53985 3/20 0.41
▸ MCTS1 Q9ULC4 3/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.39

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
SCHEMBL11247181 1.00 PPARA (0.46) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11044937 1.00 PPARA (0.46) PPARAPPARGMEN1MAPTKMT2A
Ammonia Solution, Strong SCHEMBL11243218 0.99 PPARA (0.45) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11299144 0.99 PPARA (0.45) PPARAPPARGMEN1MAPTKMT2A
Tromethamine SCHEMBL11239832 0.92 MEN1 (0.42) PPARAPPARGMEN1MAPTKMT2A
Potassium Ion SCHEMBL11245683 0.89 PPARA (0.43) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11248105 0.89 MEN1 (0.46) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11299139 0.89 PPARA (0.43) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL11238172 0.89 PPARA (0.43) PPARAPPARGMEN1MAPTKMT2A
SCHEMBL4130175 0.86 ALDH1A1 (0.44) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009306-B1 ANTI-ARTHRITIC HYDROXYACETIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND PROCESSES FOR THEIR MANUFACTURE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-24 — — EP disclosed
US-4310544-A Hydroxyacetic acid derivatives with anti-arthritic properties IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-01-12 — — US disclosed
EP-0009306-A1 Anti-arthritic hydroxyacetic acid derivatives, pharmaceutical compositions thereof, and processes for their manufacture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 — — EP disclosed
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