SCHEMBL10584331

SCHEMBL10584331

O=C(O)CC(=O)CC(O)/C=C/C=C1/CCCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.40
▸ GAA P10253 3/20 0.36
▸ MIF P14174 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MMP12 P39900 2/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32

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
SCHEMBL10532639 1.00 RXRA (0.40) RXRAGAAMIFMAPTMMP12
SCHEMBL9421054 1.00 RXRA (0.40) RXRAGAAMIFMAPTMMP12
SCHEMBL9421063 1.00 RXRA (0.40) RXRAGAAMIFMAPTMMP12
SCHEMBL9421097 0.84 MMP12 (0.42) RXRAMIFMAPTMMP12MMP13
SCHEMBL9421091 0.84 MMP12 (0.42) RXRAMIFMAPTMMP12MMP13
SCHEMBL9421153 0.84 MMP12 (0.42) RXRAMIFMAPTMMP12MMP13
SCHEMBL9421103 0.84 MMP12 (0.42) RXRAMIFMAPTMMP12MMP13
SCHEMBL9421148 0.84 MMP12 (0.42) RXRAMIFMAPTMMP12MMP13
SCHEMBL9421081 0.73 LMNA (0.42) GAAMAPTALDH1A1HTTLMNA
SCHEMBL9421084 0.73 LMNA (0.42) GAAMAPTALDH1A1HTTLMNA

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
EP-0312269-A2 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-04-19 — — EP disclosed
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