SCHEMBL612502

SCHEMBL612502

O=C(O)C(=O)CC(O)(CC(=O)C(=O)O)C(=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
OR51E2 Q9H255 2/20 0.36
CA4 P22748 1/20 0.35
MAPK1 P28482 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.32
TET2 Q6N021 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
SCHEMBL126390 0.74 ALDH1A1 (0.75) ALDH1A1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL10049685 0.74 ALDH1A1 (0.46) ALDH1A1OR51E2CA4MAPK1SLC13A3
SCHEMBL2928493 0.72 ALDH1A1 (0.44) ALDH1A1OR51E2CA4HMGCRCHRM1
SCHEMBL720680 0.69 ALDH1A1 (0.46) ALDH1A1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL19359063 0.69 HMGCR (0.46) ALDH1A1OR51E2CA4MAPK1SLC13A3
SCHEMBL21051761 0.69 ALDH1A1 (0.39) ALDH1A1OR51E2CA4MAPK1SLC13A3
SCHEMBL126425 0.65 HMGCR (0.55) ALDH1A1HMGCRCHRM1TBXA2RADRA1A
SCHEMBL126086 0.65 TET2 (0.60) ALDH1A1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL10056680 0.65 TET2 (0.60) ALDH1A1OR51E2MAPK1SLC13A3EGLN1
SCHEMBL11065255 0.65 OR51E2 (0.40) ALDH1A1OR51E2MAPK1SLC13A3EGLN1

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-20120040476-A1 IMMUNOASSAY REAGENT FOR KL-6 ASSAY Eidia Co,. Ltd. (JP) 2012-02-16 US disclosed