SCHEMBL8549416

SCHEMBL8549416

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGM2 P21980 3/20 0.47
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ DPEP1 P16444 1/20 0.40
▸ TEAD1 P28347 4/20 0.39

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
SCHEMBL8551807 0.85 TGM2 (0.43) TGM2DPEP1LMNASMN1; SMN2
SCHEMBL8547481 0.83 TGM2 (0.43) TGM2HDAC3HDAC1HDAC2HDAC10
SCHEMBL8547353 0.82 PLAAT3 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8545460 0.80 ALDH1A1 (0.34) TGM2DPEP1SMN1; SMN2
SCHEMBL8546509 0.80 TGM2 (0.47) TGM2HDAC3HDAC1HDAC2HDAC8
SCHEMBL8550291 0.80 ALDH1A1 (0.39) TGM2HDAC2LMNA
SCHEMBL8553499 0.79 TGM2 (0.48) TGM2LMNASMN1; SMN2
SCHEMBL8555056 0.79 THRB (0.43) TGM2PPARGSMN1; SMN2
SCHEMBL8554406 0.78 ACACB (0.43) LMNASMN1; SMN2
SCHEMBL8549680 0.77 TEAD1 (0.40) TGM2HDAC3HDAC1HDAC2HDAC10

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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