SCHEMBL19826784

SCHEMBL19826784

Bc1ccc(O)c(/C=C/C(N)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PELI1 Q96FA3 3/20 0.53
▸ MAPT P10636 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SNCA P37840 2/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ CCNC P24863 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ ERN1 O75460 1/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ JUN P05412 1/20 0.39

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
SCHEMBL6095138 0.80 PELI1 (0.54) PELI1MAPTALDH1A1KDM4EMEN1
Water SCHEMBL11694970 0.80 ALDH1A1 (0.60) PELI1MAPTALDH1A1KDM4EMEN1
SCHEMBL6095141 0.80 PELI1 (0.54) PELI1MAPTALDH1A1KDM4EMEN1
SCHEMBL19813877 0.79 ERN1 (0.56) PELI1MAPTALDH1A1KDM4EMEN1
SCHEMBL13636232 0.79 ERN1 (0.56) PELI1MAPTALDH1A1KDM4EMEN1
SCHEMBL30353437 0.79 ERN1 (0.56) PELI1MAPTALDH1A1KDM4EMEN1
SCHEMBL13764832 0.74 TTR (0.58) MAPTALDH1A1KDM4EMEN1TP53
SCHEMBL1608290 0.73 NFKB1 (0.70) MAPTKDM4ENFKB1JUNNFE2L2
SCHEMBL765999 0.73 NFKB1 (0.70) MAPTKDM4ENFKB1JUNNFE2L2
SCHEMBL8687395 0.73 NFKB1 (0.70) MAPTKDM4ENFKB1JUNNFE2L2

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
WO-2018018091-A1 COMPOSITIONS FOR THE TREATMENT OF PULMONARY FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2018-02-01 — — WO disclosed
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