SCHEMBL8552779

SCHEMBL8552779

C=C(C)C(=O)NCC/C(=C\c1ccc(F)c(Cl)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPEP1 P16444 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PLAAT3 P53816 2/20 0.33
▸ PLAAT5 Q96KN8 2/20 0.33
▸ PLAAT2 Q9NWW9 2/20 0.33
▸ PLAAT4 Q9UL19 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GRIK1 P39086 1/20 0.33

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
SCHEMBL8554286 0.90 PYGL (0.42) DPEP1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8554588 0.90 TRPA1 (0.38) TRPA1MEN1KMT2AMAPTTP53
SCHEMBL8550321 0.86 DPEP1 (0.41) DPEP1TRPA1MEN1KMT2AMAOA
SCHEMBL8551925 0.86 GRIK1 (0.46) NPC1RAB9ASMN1; SMN2PLAAT3PLAAT5
SCHEMBL8555352 0.84 NLRP3 (0.46) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8549387 0.84 DPEP1 (0.42) DPEP1TRPA1MEN1KMT2AGRIK1
SCHEMBL8550399 0.83 ALDH1A1 (0.41) TRPA1MEN1KMT2AMAPTNPC1
SCHEMBL8554973 0.83 RAB9A (0.35) NPC1RAB9ASMN1; SMN2FABP4PLAAT3
SCHEMBL8550868 0.81 AKR1C3 (0.43) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8550579 0.81 NPC1 (0.35) NPC1RAB9ASMN1; SMN2PLAAT3PLAAT5

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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