SCHEMBL23638613

SCHEMBL23638613

CC(C)(C)c1cc(OCCCO)cc(N)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.43
▸ CA1 P00915 2/20 0.43
▸ VCAM1 P19320 3/20 0.39
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ GSR P00390 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HPN P05981 1/20 0.36
▸ SIRT5 Q9NXA8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ KMT2A Q03164 2/20 0.36

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 0.88 CA1 (0.43) CA2CA1ALDH1A1MAPTMEN1
SCHEMBL25991003 0.82 CA2 (0.39) CA2CA1VCAM1ALDH1A1MAPT
SCHEMBL11586010 0.80 CA2 (0.57) CA2CA1VCAM1ALDH1A1MAPT
SCHEMBL8959195 0.79 CA2 (0.61) CA2CA1ALDH1A1MAPTMAPK1
SCHEMBL8959243 0.78 CA2 (0.59) CA2CA1VCAM1ALDH1A1MAPT
SCHEMBL8959175 0.77 CA2 (0.63) CA2CA1VCAM1ALDH1A1MAPT
SCHEMBL18265860 0.77 TDP1 (0.44) CA2CA1VCAM1ALDH1A1MAPT
SCHEMBL21203051 0.76 CA2 (0.74) CA2CA1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10990333 0.75 CA2 (0.55) CA2CA1ALDH1A1MAPTMAPK1
SCHEMBL23638550 0.75 CYP1A2 (0.49) MAPTSMN1; SMN2MEN1CYP1A2KMT2A

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 3 patents. 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
EP-3848357-B1 REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF EVERLIGHT CHEM IND CORP (TW) 2023-01-18 — — EP disclosed
EP-3848357-A1 REACTIVE BENZOTRIAZOLE UV ABSORBER AND USE THEREOF Everlight Chemical Industrial Corporation (TW) 2021-07-14 — — EP disclosed
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