SCHEMBL21586962

SCHEMBL21586962

CCCCOc1cc(NC)c(O)c(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NR5A1 Q13285 2/20 0.38
▸ LTA4H P09960 2/20 0.38
▸ CNR1 P21554 4/20 0.38
▸ CNR2 P34972 4/20 0.38
▸ NR5A2 O00482 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ HSPA5 P11021 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP19A1 P11511 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ STK25 O00506 1/20 0.35
▸ PLA2G2A P14555 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
SCHEMBL10990333 0.86 CA2 (0.55) CA1CA2GAAL3MBTL1XBP1
SCHEMBL15064805 0.81 CA2 (0.46) CA1CA2GAAL3MBTL1XBP1
SCHEMBL1086609 0.80 CA1 (0.52) CA1CA2NR5A1LTA4HCNR1
SCHEMBL6693439 0.80 CA1 (0.52) CA1CA2NR5A1LTA4HCNR1
SCHEMBL9999756 0.80 CA1 (0.52) CA1CA2NR5A1LTA4HCNR1
SCHEMBL25990580 0.79 CA1 (0.43) CA1CA2GAAL3MBTL1XBP1
SCHEMBL8959195 0.77 CA2 (0.61) CA1CA2GAAL3MBTL1ATM
SCHEMBL8959243 0.76 CA2 (0.59) CA1CA2GAAL3MBTL1ATM
SCHEMBL29173963 0.75 PTPN11 (0.47) GAAL3MBTL1XBP1ATMNPSR1
SCHEMBL2289370 0.75 LTA4H (0.46) GAAL3MBTL1XBP1ATMNPSR1

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-3578550-A1 NOVEL BENZOTRIAZOLE UV ABSORBER WITH RED SHIFT AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2019-12-11 — — EP disclosed
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