SCHEMBL25865672

SCHEMBL25865672

CCOC(COc1cccc(O)c1Br)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 2/20 0.34
TP53 P04637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
GAA P10253 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAOB P27338 2/20 0.34

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
SCHEMBL18305182 0.83 CYP1A2 (0.38) ALOX15LMNAHPGDKDM4ECYP3A4
SCHEMBL29678765 0.83 CYP1A2 (0.38) ALOX15LMNAHPGDKDM4ECYP3A4
SCHEMBL9644472 0.81 HPGD (0.47) ALOX15MAPTLMNAHPGDMAPK1
SCHEMBL25166188 0.81 L3MBTL1 (0.37) ALOX15MAPTHPGDALDH1A1GAA
SCHEMBL5987150 0.81 L3MBTL1 (0.38) ALOX15HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL23640216 0.78 MAOB (0.52) MAPTMAPK1CA1CA2CA12
SCHEMBL29831530 0.77 KMT2A (0.48) ALOX15MAPTLMNAHPGDALDH1A1
SCHEMBL1866136 0.77 KMT2A (0.48) ALOX15MAPTLMNAHPGDALDH1A1
SCHEMBL16048103 0.75 KMT2A (0.35) ALOX15MAPTHPGDGAASMN1; SMN2
SCHEMBL13984211 0.74 ALOX15 (0.53) ALOX15MAPTLMNAKDM4EALDH1A1

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-3848363-B1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC (CN) 2023-07-19 EP disclosed