SCHEMBL28958140

SCHEMBL28958140

CCC(Br)C(=O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.41
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
MMP14 P50281 1/20 0.39
MMP15 P51511 1/20 0.39
MMP16 P51512 1/20 0.39
MMP26 Q9NRE1 1/20 0.39
SLC6A4 P31645 1/20 0.39
PGR P06401 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 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
SCHEMBL23782592 0.84 HPGD (0.51) HPGDALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL2336670 0.84 PGR (0.52) HPGDALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL28878824 0.81 ALDH1A1 (0.59) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL11225115 0.81 SMN1; SMN2 (0.55) HPGDALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL10852929 0.81 TAS1R3 (0.47) HPGDALDH1A1LMNAHSD17B10HTT
SCHEMBL10878733 0.78 HPGD (0.63) HPGDALDH1A1LMNAL3MBTL1HTT
SCHEMBL11366869 0.77 HPGD (0.54) HPGDALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL28878867 0.77 ALDH1A1 (0.53) HPGDALDH1A1LMNAL3MBTL1HSD17B10
SCHEMBL12600893 0.76 HDAC8 (0.51)
SCHEMBL10876466 0.76 ALDH1A1 (0.49) HPGDALDH1A1LMNAL3MBTL1HSD17B10

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
CN-115151591-B Composition, cured product, and method for producing cured product 株式会社艾迪科 2024-03-01 CN disclosed
CN-115151591-A Composition, cured product, and method for producing cured product 株式会社艾迪科 2022-10-04 CN disclosed