SCHEMBL28626879

SCHEMBL28626879

CC(C)(C(=O)c1ccc(S(=O)(=O)c2ccc(OCCO)cc2)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL727286 0.92 HRH3 (0.64) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8176206 0.86 HRH3 (0.66) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL10456895 0.86 HRH3 (0.68) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL18883165 0.85 ALDH1A1 (0.60) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL10456891 0.84 HRH3 (0.70) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL28731828 0.81 HRH3 (0.63) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL932075 0.81 HRH3 (0.66) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL10458536 0.81 ALDH1A1 (0.62) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8182732 0.80 HRH3 (0.65) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL8175825 0.80 HRH3 (0.65) HRH3ALDH1A1SMN1; SMN2TSHRMAPK1

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-113316744-B Oxime ester photoinitiators with special aroyl chromophores 巴斯夫欧洲公司 2024-07-30 CN disclosed
CN-113316744-A Oxime ester photoinitiators with specific aroyl chromophores 巴斯夫欧洲公司 2021-08-27 CN disclosed