SCHEMBL25990580

SCHEMBL25990580

CCCCOc1cc(N)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ LTA4H P09960 2/20 0.40
▸ NR5A1 Q13285 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 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
SCHEMBL10990333 0.89 CA2 (0.55) CA1CA2LTA4HNR5A1GAA
SCHEMBL23638613 0.88 CA2 (0.43) CA1CA2ATMNPSR1MEN1
SCHEMBL15064805 0.84 CA2 (0.46) CA1CA2LTA4HNR5A1GAA
SCHEMBL25991003 0.82 CA2 (0.39) CA1CA2ATMNPSR1MEN1
SCHEMBL1086609 0.82 CA1 (0.52) CA1CA2LTA4HNR5A1MAPT
SCHEMBL9999756 0.82 CA1 (0.52) CA1CA2LTA4HNR5A1MAPT
SCHEMBL6693439 0.82 CA1 (0.52) CA1CA2LTA4HNR5A1MAPT
SCHEMBL8959195 0.79 CA2 (0.61) CA1CA2GAAL3MBTL1ATM
SCHEMBL21586962 0.79 CA1 (0.41) CA1CA2LTA4HNR5A1GAA
SCHEMBL12068027 0.79 TSHR (0.46) CA1CA2LTA4HNR5A1GAA

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-B1 NOVEL RED-SHIFTING BENZOTRIAZOLE UV ABSORBERS EVERLIGHT CHEM IND CORP (TW) 2023-08-16 — — EP disclosed
Send feedback