SCHEMBL8550399

SCHEMBL8550399

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PLAAT3 P53816 1/20 0.39
▸ PLAAT5 Q96KN8 1/20 0.39
▸ PLAAT2 Q9NWW9 1/20 0.39
▸ PLAAT4 Q9UL19 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ AKR1C3 P42330 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL8551274 0.88 PLAAT3 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8552707 0.88 ALDH1A1 (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8550579 0.87 NPC1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8551925 0.87 GRIK1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8554588 0.86 TRPA1 (0.38) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL8547353 0.86 PLAAT3 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8548352 0.86 SMN1; SMN2 (0.42) ALDH1A1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8550868 0.85 AKR1C3 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8550978 0.85 MAPT (0.46) ALDH1A1SMN1; SMN2PLAAT3PLAAT5PLAAT2
SCHEMBL8593809 0.84 FBP1 (0.40) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2

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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