SCHEMBL28341850

SCHEMBL28341850

CCC(=O)Oc1ccc(Br)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.47
ACHE P22303 1/20 0.43
LMNA P02545 4/20 0.40
HPGD P15428 3/20 0.40
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ESR1 P03372 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
CES2 O00748 1/20 0.39
GALR3 O60755 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL15550185 0.86 ALOX15 (0.58) ALOX15ACHELMNAHPGDKDM4E
SCHEMBL27714376 0.83 ALOX15 (0.47) ALOX15ACHELMNAHPGDKDM4E
SCHEMBL5929563 0.83 ACHE (0.50) ALOX15ACHELMNAHPGDKDM4E
SCHEMBL28169742 0.82 ALOX15 (0.50) ALOX15ACHELMNAHPGDKDM4E
SCHEMBL23924761 0.81 FGFR1 (0.53) ALOX15HPGDKDM4EGLAGAA
SCHEMBL16415282 0.81 KMT2A (0.55) ALOX15ACHELMNAHPGDKDM4E
SCHEMBL28316306 0.81 ALOX15 (0.50) ALOX15HPGDKDM4EKMT2AGLA
SCHEMBL5965056 0.81 ALOX15 (0.46) ALOX15ACHELMNAHPGDKDM4E
SCHEMBL28428387 0.81 ALOX15 (0.49) ALOX15ACHELMNAHPGDKDM4E
SCHEMBL16397172 0.80 CFD (0.53) ALOX15HPGDKDM4EGAAHSD17B10

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
CN-110621671-A Benzofuran and benzothiophene derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-27 CN disclosed