SCHEMBL8550897

SCHEMBL8550897

C=C(C)C(=O)NCC/C(=C\c1cccc(F)c1C)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ NPC1 O15118 4/20 0.34
▸ RAB9A P51151 4/20 0.34
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ CYP2C19 P33261 3/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ PLAAT3 P53816 3/20 0.31
▸ PLAAT5 Q96KN8 3/20 0.31
▸ PLAAT2 Q9NWW9 3/20 0.31

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
SCHEMBL8551388 0.85 TGM2 (0.41) SMN1; SMN2MEN1PKMKMT2AL3MBTL1
SCHEMBL8158313 0.79 ALOX5 (0.35) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL8550868 0.78 AKR1C3 (0.43) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL8552707 0.77 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9ACYP3A4
SCHEMBL8157433 0.77 APEX1 (0.39) SMN1; SMN2ALDH1A1NPC1RAB9APTGES
SCHEMBL8550399 0.77 ALDH1A1 (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8552120 0.76 RAB9A (0.35) SMN1; SMN2MEN1PKMKMT2AL3MBTL1
SCHEMBL8554588 0.76 TRPA1 (0.38) SMN1; SMN2MEN1PKMKMT2AALDH1A1
SCHEMBL8548079 0.76 CA1 (0.41) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8551274 0.75 PLAAT3 (0.41) SMN1; SMN2MEN1KMT2AALDH1A1NPC1

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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