SCHEMBL7857063

SCHEMBL7857063

C=CCc1cccc(OCC(=O)O)c1OCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.56
▸ PTGDR Q13258 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HPGD P15428 3/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CD69 Q07108 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ CASP1 P29466 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ FABP4 P15090 1/20 0.42
▸ FABP5 Q01469 1/20 0.42

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
SCHEMBL869669 0.86 PTGDR2 (0.64) PTGDR2PTGDRL3MBTL1KDM4EALDH1A1
SCHEMBL7856426 0.85 PTGDR2 (0.56) PTGDR2PTGDRL3MBTL1KDM4EALDH1A1
SCHEMBL6742518 0.84 PTGDR2 (0.48) PTGDR2PTGDRL3MBTL1KDM4EALDH1A1
SCHEMBL7752635 0.81 FABP4 (0.60) PTGDR2L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL1145948 0.80 KMT2A (0.62) PTGDR2L3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5259031 0.79 PTGDR (0.44) PTGDR2PTGDRKDM4EALDH1A1KMT2A
SCHEMBL5259025 0.79 PTGDR (0.44) PTGDR2PTGDRKDM4EALDH1A1KMT2A
SCHEMBL8822606 0.75 PTGDR2 (0.48) PTGDR2PTGDRL3MBTL1KDM4EALDH1A1
SCHEMBL3459844 0.74 ALDH1A1 (0.48) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL14193733 0.73 L3MBTL1 (0.59) PTGDR2L3MBTL1KDM4EALDH1A1SMN1; SMN2

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
WO-2001006995-A1 COSMETIC AGENTS CONTAINING HYDROXYCHAVICOL COGNIS DEUTSCHLAND GMBH (DE) 2001-02-01 — — WO disclosed
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