SCHEMBL8544757

SCHEMBL8544757

C=C(C)C(=O)NCC/C(=C\c1cc(OC)cc(OC)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PLAAT3 P53816 3/20 0.37
▸ PLAAT5 Q96KN8 3/20 0.37
▸ PLAAT2 Q9NWW9 3/20 0.37
▸ PLAAT4 Q9UL19 3/20 0.37
▸ NQO2 P16083 4/20 0.37
▸ POLB P06746 1/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP24A1 Q07973 1/20 0.35
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ CNR1 P21554 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CAPN1 P07384 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
SCHEMBL8550978 0.88 MAPT (0.46) PLAAT3PLAAT5PLAAT2PLAAT4MEN1
SCHEMBL8550579 0.82 NPC1 (0.35) PTGESALOX5PPARGPLAAT3PLAAT5
SCHEMBL8554973 0.82 RAB9A (0.35) PTGESALOX5PPARGPLAAT3PLAAT5
SCHEMBL8550020 0.82 GAA (0.48) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL8553056 0.81 DNM1 (0.35) PTGESALOX5PPARGMEN1KMT2A
SCHEMBL8552707 0.80 ALDH1A1 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4POLB
SCHEMBL8554560 0.80 LY96 (0.48) PLAAT3PLAAT5PLAAT2PLAAT4BACE1
SCHEMBL8152247 0.79 PPARG (0.42) PTGESALOX5PPARGNQO2POLB
SCHEMBL8548995 0.78 ALOX5 (0.42) PTGESALOX5PPARGPOLBMEN1
SCHEMBL8551274 0.78 PLAAT3 (0.41) PLAAT3PLAAT5PLAAT2PLAAT4POLB

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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