SCHEMBL8553056

SCHEMBL8553056

C=C(C)C(=O)NCC/C(=C\c1cc(C#N)cc(C#N)c1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 10/20 0.35
▸ GPR35 Q9HC97 4/20 0.35
▸ EGFR P00533 2/20 0.34
▸ PTGES O14684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ KDR P35968 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RGS12 O14924 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL8547870 0.89 PDCD1 (0.43) EGFRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8593809 0.88 FBP1 (0.40) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8552485 0.82 ALDH1A1 (0.34) DNM1GPR35EGFRPTGESALOX5
SCHEMBL8551609 0.82 EGFR (0.39) DNM1EGFRMAPTMEN1KMT2A
SCHEMBL8544757 0.81 PTGES (0.41) PTGESALOX5PPARGMAPTMEN1
SCHEMBL8550579 0.81 NPC1 (0.35) PTGESALOX5PPARGSMN1; SMN2ALDH1A1
SCHEMBL8554973 0.81 RAB9A (0.35) PTGESALOX5PPARGSMN1; SMN2ALDH1A1
SCHEMBL8552707 0.79 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL8152091 0.78 APEX1 (0.36) DNM1GPR35PTGESALOX5PPARG
SCHEMBL8551274 0.77 PLAAT3 (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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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