SCHEMBL8552907

SCHEMBL8552907

C=CC(=O)NCC/C(=C\c1cccc(Cl)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ PLAAT3 P53816 1/20 0.38
▸ PLAAT5 Q96KN8 1/20 0.38
▸ PLAAT2 Q9NWW9 1/20 0.38
▸ PLAAT4 Q9UL19 1/20 0.38

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
SCHEMBL8551077 0.87 RAB9A (0.37) ALDH1A1HPGDTAAR1NLRP3TGM2
SCHEMBL8551790 0.85 MAPT (0.39) KMT2AAKR1C3CYP2C9TGM2FBP1
SCHEMBL9408933 0.84 PYGL (0.50) ALDH1A1HPGDPOLBPLAAT3PLAAT5
SCHEMBL8549387 0.83 DPEP1 (0.42) KMT2AEGFR
SCHEMBL8555352 0.83 NLRP3 (0.46) ALDH1A1HPGDTAAR1CYP1A2CYP2C19
SCHEMBL8545460 0.81 ALDH1A1 (0.34) ALDH1A1KMT2ASMN1; SMN2TGM2
SCHEMBL8553931 0.78 DPEP1 (0.42) ALDH1A1HPGDTGM2EGFRMAOA
SCHEMBL11340474 0.77 AKR1C3 (0.48) ALDH1A1HPGDCYP1A2KMT2AAKR1C3
SCHEMBL11340472 0.77 AKR1C3 (0.48) ALDH1A1HPGDCYP1A2KMT2AAKR1C3
SCHEMBL8549538 0.77 GRIK1 (0.46) ALDH1A1TAAR1CYP1A2CYP2C19NLRP3

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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