SCHEMBL8548352

SCHEMBL8548352

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TBXAS1 P24557 2/20 0.38
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35
▸ PLAAT3 P53816 2/20 0.34
▸ PLAAT5 Q96KN8 2/20 0.34
▸ PLAAT2 Q9NWW9 2/20 0.34
▸ PLAAT4 Q9UL19 2/20 0.34
▸ ALOX12 P18054 1/20 0.34

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 0.87 PLAAT3 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AAKR1C3
SCHEMBL8552707 0.87 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9AAKR1C3
SCHEMBL8551925 0.86 GRIK1 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AAKR1C3
SCHEMBL8550399 0.86 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1NPC1RAB9AAKR1C3
SCHEMBL8548995 0.84 ALOX5 (0.42) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL8550978 0.84 MAPT (0.46) SMN1; SMN2ALDH1A1AKR1C3LMNAPLAAT3
SCHEMBL8547353 0.82 PLAAT3 (0.43) SMN1; SMN2ALDH1A1NPC1RAB9AAKR1C3
SCHEMBL8593809 0.82 FBP1 (0.40) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL8556300 0.82 EPHX2 (0.38) SMN1; SMN2ALDH1A1NPC1RAB9AAKR1C3
SCHEMBL8547323 0.81 MAPT (0.42) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA

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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