SCHEMBL8550579

SCHEMBL8550579

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTGES O14684 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ PLAAT3 P53816 1/20 0.32
▸ PLAAT5 Q96KN8 1/20 0.32
▸ PLAAT2 Q9NWW9 1/20 0.32
▸ PLAAT4 Q9UL19 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ RECQL P46063 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
SCHEMBL8550868 0.88 AKR1C3 (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8550399 0.87 ALDH1A1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8554973 0.84 RAB9A (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2PTGES
SCHEMBL8554588 0.84 TRPA1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2PTGES
SCHEMBL8552707 0.82 ALDH1A1 (0.52) NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8544757 0.82 PTGES (0.41) ALDH1A1PTGESALOX5PPARGPLAAT3
SCHEMBL8553056 0.81 DNM1 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2PTGES
SCHEMBL8550321 0.81 DPEP1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8552779 0.81 DPEP1 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT3
SCHEMBL8551274 0.80 PLAAT3 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2PLAAT3

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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