SCHEMBL8546509

SCHEMBL8546509

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 1/20 0.47
▸ MAPT P10636 3/20 0.44
▸ THRB P10828 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MTNR1A P48039 2/20 0.42
▸ MTNR1B P49286 2/20 0.42
▸ GSK3B P49841 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL8554406 0.88 ACACB (0.43) MAPTALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL8547481 0.85 TGM2 (0.43) TGM2MAPTALDH1A1KMT2ALMNA
SCHEMBL8550135 0.84 ALDH1A1 (0.47) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL8550978 0.84 MAPT (0.46) MAPTTHRBALDH1A1KMT2ALMNA
SCHEMBL8551807 0.83 TGM2 (0.43) TGM2MAPTALDH1A1KMT2ALMNA
SCHEMBL8557510 0.82 LY96 (0.55) TGM2MAPTALDH1A1KMT2AMEN1
SCHEMBL8555056 0.81 THRB (0.43) TGM2THRBALDH1A1SMN1; SMN2RAB9A
SCHEMBL8550291 0.80 ALDH1A1 (0.39) TGM2MAPTALDH1A1KMT2ALMNA
SCHEMBL8549416 0.80 TGM2 (0.47) TGM2LMNASMN1; SMN2CYP1A2HDAC3
SCHEMBL5799213 0.79 MAPT (0.51) MAPTTHRBALDH1A1KMT2ALMNA

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
Send feedback