SCHEMBL9408933

SCHEMBL9408933

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 13/20 0.50
▸ DPEP1 P16444 1/20 0.40
▸ HPGD P15428 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 1/20 0.36
▸ PLAAT4 Q9UL19 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8549459 0.93 PYGL (0.52) PYGLDPEP1
SCHEMBL8549387 0.89 DPEP1 (0.42) PYGLDPEP1
SCHEMBL8546512 0.85 VCAM1 (0.44) HPGDPOLBHTTNPC1LMNA
SCHEMBL8552907 0.84 ALDH1A1 (0.47) HPGDPOLBPLAAT3PLAAT5PLAAT2
SCHEMBL8551077 0.83 RAB9A (0.37) PYGLHPGDMAPK1RAB9AALDH1A1
SCHEMBL8554286 0.82 PYGL (0.42) PYGLDPEP1HPGDPOLBHTT
SCHEMBL8545460 0.82 ALDH1A1 (0.34) DPEP1NPC1MAPK1RAB9AALDH1A1
SCHEMBL8547481 0.80 TGM2 (0.43) POLBNPC1LMNAMAPK1RAB9A
SCHEMBL8551807 0.80 TGM2 (0.43) DPEP1POLBHTTLMNAMAPK1
SCHEMBL8550135 0.79 ALDH1A1 (0.47) HPGDPOLBHTTNPC1LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0611786-A1 Orientation layer for liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 — — EP disclosed
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