SCHEMBL8546512

SCHEMBL8546512

C=CC(=O)NCC/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 1/20 0.44
▸ MAPT P10636 8/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MITF O75030 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ PLA2G1B P04054 1/20 0.42
▸ ATG4B Q9Y4P1 1/20 0.42
▸ ABL1 P00519 5/20 0.41
▸ BCR P11274 5/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41

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
SCHEMBL8552324 0.85 MAPT (0.48) VCAM1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL9408933 0.85 PYGL (0.50) LMNAALDH1A1NPC1MAPK1RAB9A
SCHEMBL8553499 0.82 TGM2 (0.48) MAPTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL8549387 0.80 DPEP1 (0.42) MEN1KMT2A
SCHEMBL8549459 0.78 PYGL (0.52) —
SCHEMBL8552907 0.77 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EKMT2ANPSR1
SCHEMBL8551077 0.76 RAB9A (0.37) MAPTALDH1A1MAPK1RAB9AGAA
SCHEMBL8545460 0.76 ALDH1A1 (0.34) MAPTSMN1; SMN2ALDH1A1NPC1MAPK1
SCHEMBL8152002 0.74 MAPT (0.42) VCAM1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL8547481 0.74 TGM2 (0.43) MAPTSMN1; SMN2LMNAALDH1A1NPC1

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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