SCHEMBL8554973

SCHEMBL8554973

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PLAAT3 P53816 6/20 0.34
▸ PLAAT5 Q96KN8 6/20 0.34
▸ PLAAT2 Q9NWW9 6/20 0.34
▸ PLAAT4 Q9UL19 6/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ NLRP3 Q96P20 4/20 0.34
▸ GRN P28799 1/20 0.33
▸ SORT1 Q99523 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ GRIK1 P39086 1/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HPGD P15428 1/20 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
SCHEMBL8555352 0.88 NLRP3 (0.46) RAB9AALDH1A1NPC1SMN1; SMN2PLAAT3
SCHEMBL8551925 0.87 GRIK1 (0.46) RAB9AALDH1A1NPC1SMN1; SMN2PLAAT3
SCHEMBL8550579 0.84 NPC1 (0.35) RAB9AALDH1A1NPC1SMN1; SMN2PLAAT3
SCHEMBL8554286 0.84 PYGL (0.42) RAB9AALDH1A1NPC1SMN1; SMN2PLAAT3
SCHEMBL8552779 0.83 DPEP1 (0.41) RAB9AALDH1A1NPC1SMN1; SMN2PLAAT3
SCHEMBL8552707 0.82 ALDH1A1 (0.52) RAB9AALDH1A1NPC1SMN1; SMN2PLAAT3
SCHEMBL8544757 0.82 PTGES (0.41) ALDH1A1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8551077 0.81 RAB9A (0.37) RAB9AALDH1A1FABP4NLRP3GRIK1
SCHEMBL8554588 0.81 TRPA1 (0.38) RAB9AALDH1A1NPC1SMN1; SMN2PTGES
SCHEMBL8553056 0.81 DNM1 (0.35) RAB9AALDH1A1NPC1SMN1; SMN2PTGES

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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