SCHEMBL8555056

SCHEMBL8555056

C=CC(=O)NCC/C(=C\c1ccc(CCC)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.43
▸ TGM2 P21980 3/20 0.41
▸ THRA P10827 2/20 0.40
▸ ZDHHC20 Q5W0Z9 1/20 0.39
▸ ZDHHC2 Q9UIJ5 1/20 0.39
▸ PTGES O14684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ TBXAS1 P24557 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL8547481 0.84 TGM2 (0.43) TGM2ZDHHC20ZDHHC2L3MBTL1ALDH1A1
SCHEMBL8551267 0.82 ZDHHC20 (0.42) THRBTGM2THRAZDHHC20ZDHHC2
SCHEMBL8551807 0.82 TGM2 (0.43) TGM2ALDH1A1SMN1; SMN2GAA
SCHEMBL8554406 0.81 ACACB (0.43) ALOX5ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL8546509 0.81 TGM2 (0.47) THRBTGM2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8550291 0.79 ALDH1A1 (0.39) TGM2L3MBTL1ALDH1A1RAB9ACYP3A4
SCHEMBL8549416 0.79 TGM2 (0.47) TGM2PPARGSMN1; SMN2
SCHEMBL8553499 0.78 TGM2 (0.48) TGM2ALDH1A1SMN1; SMN2GAA
SCHEMBL8153200 0.76 ALDH1A1 (0.35) TGM2ZDHHC20ZDHHC2ALDH1A1CYP2C9
SCHEMBL8554299 0.76 ALDH1A1 (0.35) TGM2ZDHHC20ZDHHC2ALDH1A1CYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611786-B1 Orientation layer for liquid crystals ROLIC AG (CH) 1999-04-14 — — EP disclosed
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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