SCHEMBL9408929

SCHEMBL9408929

C=CC(=O)NCCCCCC/C(=C\c1cc(OC)cc(OC)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC20 Q5W0Z9 1/20 0.43
▸ ZDHHC2 Q9UIJ5 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ PTGES O14684 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ TGM2 P21980 1/20 0.41
▸ FFAR1 O14842 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL9408949 0.82 ZDHHC20 (0.42) ZDHHC20ZDHHC2TGM2HDAC3HDAC4
SCHEMBL8546509 0.78 TGM2 (0.47) TGM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL10363985 0.76 ZDHHC20 (0.49) ZDHHC20ZDHHC2PPARGTGM2FFAR1
SCHEMBL8544757 0.75 PTGES (0.41) PPARGPTGESALOX5CNR1MTNR1A
SCHEMBL8550135 0.73 ALDH1A1 (0.47) SMN1; SMN2NPC1RAB9A
SCHEMBL8551267 0.72 ZDHHC20 (0.42) ZDHHC20ZDHHC2PPARGPTGESALOX5
SCHEMBL25253207 0.72 ALOX5 (0.67) PPARGPTGESALOX5HDAC3HDAC4
SCHEMBL8549538 0.72 GRIK1 (0.46) ZDHHC20ZDHHC2TGM2HDAC3HDAC4
SCHEMBL8549459 0.71 PYGL (0.52) TGM2
SCHEMBL8152868 0.71 PPARG (0.46) PPARGPTGESALOX5FFAR1PPARD

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-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
Send feedback