SCHEMBL28907057

SCHEMBL28907057

COCCOc1cccc(-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.55
▸ BACE1 P56817 1/20 0.54
▸ HRH3 Q9Y5N1 7/20 0.54
▸ CHEK1 O14757 1/20 0.49
▸ CHEK2 O96017 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ GGPS1 O95749 1/20 0.49
▸ RXRA P19793 1/20 0.47
▸ RXRB P28702 1/20 0.47
▸ NR4A2 P43354 1/20 0.47
▸ DHODH Q02127 1/20 0.47
▸ FFAR1 O14842 1/20 0.47
▸ FFAR4 Q5NUL3 1/20 0.47
▸ SOD1 P00441 1/20 0.46
▸ DHFR P00374 1/20 0.46

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
SCHEMBL10330366 0.88 LTA4H (0.46) LTA4HBACE1HRH3CHEK1CHEK2
SCHEMBL21507854 0.84 KMT2A (0.48) HRH3CHEK1CHEK2NR4A2DHODH
SCHEMBL15723552 0.84 MAPK1 (0.58) —
SCHEMBL13883749 0.84 KDM4E (0.55) LTA4HCHEK1CHEK2RXRARXRB
SCHEMBL15473215 0.83 KMT2A (0.57) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL9422520 0.83 LTA4H (0.49) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL14926626 0.82 LSS (0.59) LTA4HHRH3HDAC1HDAC2
SCHEMBL14232127 0.82 LSS (0.59) LTA4HHRH3HDAC1HDAC2
SCHEMBL8708778 0.82 KCNA3 (0.58) LTA4HBACE1HRH3HDAC1HDAC2
SCHEMBL213738 0.82 KCNA3 (0.64) LTA4HHDAC1HDAC2

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
CN-115427038-A Methods of treating nervous system symptoms associated with lysosomal storage diseases 建新公司 2022-12-02 — — CN disclosed
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