SCHEMBL11580231

SCHEMBL11580231

O=C(O)CCCC(C=Cc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.49
CYP1A2 P05177 3/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 1/20 0.47
PAM P19021 2/20 0.44
CNR2 P34972 1/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 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
SCHEMBL6406292 0.90 ALDH1A1 (0.51) PPARACYP1A2ALDH1A1GAAPAM
SCHEMBL5480228 0.81 CYP1A2 (0.53) CYP1A2ALDH1A1PAMCNR2HDAC3
SCHEMBL8722883 0.81 EGFR (0.51) CYP1A2ALDH1A1CNR2HDAC3HDAC4
SCHEMBL8722881 0.81 EGFR (0.51) CYP1A2ALDH1A1CNR2HDAC3HDAC4
SCHEMBL5858046 0.81 EGFR (0.51) CYP1A2ALDH1A1CNR2HDAC3HDAC4
SCHEMBL5858044 0.81 EGFR (0.51) CYP1A2ALDH1A1CNR2HDAC3HDAC4
SCHEMBL9146868 0.80 CYP1A2 (0.49) CYP1A2ALDH1A1GAAPAMCNR2
SCHEMBL29209801 0.79 CYP1A2 (0.51) PPARACYP1A2ALDH1A1GAAPAM
(Z)-1,2-Diphenylethene SCHEMBL27882891 0.78 PPARA (0.66) PPARACYP1A2ALDH1A1GAAPAM
(Z)-1,2-Diphenylethene SCHEMBL27882892 0.78 PPARA (0.66) PPARACYP1A2ALDH1A1GAAPAM

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-4075465-A KEYBOARD OVERLAY SPERRY RAND CORPORATION (US) 1978-02-21 US disclosed