SCHEMBL25991003

SCHEMBL25991003

CC(C)(C)c1cc(OCCCN=O)cc(N)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.39
▸ CA1 P00915 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BLM P54132 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HPN P05981 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.32

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
SCHEMBL25990580 0.82 CA1 (0.43) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL23638613 0.82 CA2 (0.43) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL18265860 0.76 TDP1 (0.44) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL8959195 0.75 CA2 (0.61) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL8959243 0.73 CA2 (0.59) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL8959175 0.73 CA2 (0.63) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL21203051 0.72 CA2 (0.74) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL10990333 0.71 CA2 (0.55) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL23638550 0.70 CYP1A2 (0.49) MAPTMEN1CYP1A2KMT2AHIF1A
SCHEMBL11586010 0.69 CA2 (0.57) CA2CA1ALDH1A1MAPTMEN1

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