SCHEMBL25413863

SCHEMBL25413863

C#CCCC#CNc1ccc2c(=O)cc(C(C)(C)C)oc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ EPHX2 P34913 1/20 0.35
▸ STS P08842 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TOP2A P11388 3/20 0.33
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ MAOA P21397 2/20 0.32
▸ MAOB P27338 2/20 0.32
▸ AR P10275 1/20 0.31
▸ POLB P06746 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL25413865 0.70 IGLV6-57 (0.60) ALOX15CA12CA4CA9EPHX2
SCHEMBL25412346 0.66 ALOX15 (0.57) ALOX15CA12CA9EPHX2STS
SCHEMBL8493156 0.66 ALOX15 (0.66) ALOX15CA12CA9LOXL2ALDH1A1
SCHEMBL3844782 0.64 ALOX15 (0.54) ALOX15EPHX2STSALDH1A1MAPT
SCHEMBL12867892 0.64 ALOX15 (0.57) ALOX15CA12CA9STSABCG2
SCHEMBL8493141 0.64 ALDH1A1 (0.56) ALOX15EPHX2ALDH1A1MAPTHTT
SCHEMBL10473321 0.63 CYP1A2 (0.33) EPHX2
SCHEMBL25411899 0.60 ALOX15 (0.46) ALOX15EPHX2STSALDH1A1MAPT
SCHEMBL8493193 0.60 EPHX2 (0.49) ALOX15EPHX2STSALDH1A1KDM4E
SCHEMBL8493259 0.59 ALOX15 (0.48) ALOX15EPHX2STSALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4476214-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-12-18 — — EP disclosed
WO-2023150776-A1 WATER-SOLUBLE HETEROCYCLYL POLYMETHINE CHROMOPHORES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-10 — — WO disclosed
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