SCHEMBL5083560

SCHEMBL5083560

CC(=O)c1cccc(C)c1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 1/20 0.42
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MYC P01106 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
POLB P06746 3/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
KAT6A Q92794 1/20 0.35
ACLY P53396 1/20 0.35
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL11619798 0.85 ALDH1A1 (0.55) HPGDALDH1A1KDM4EHSD17B10MYC
SCHEMBL27264409 0.83 BRPF1 (0.41) BRPF1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL6408410 0.83 ALDH1A1 (0.36) BRPF1HPGDALDH1A1KDM4EHSD17B10
Potassium Ion SCHEMBL1304498 0.81 ALDH1A1 (0.39) HPGDALDH1A1KDM4EHSD17B10MYC
SCHEMBL1305426 0.81 ALDH1A1 (0.41) HPGDALDH1A1KDM4EHSD17B10MYC
SCHEMBL18762914 0.81 ALDH1A1 (0.39) HPGDALDH1A1KDM4EHSD17B10MYC
SCHEMBL183903 0.81 ALDH1A1 (0.43) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL2141572 0.81 THRB (0.47) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL27544203 0.80 CA1 (0.47) ALDH1A1KDM4EHSD17B10MYCALOX15
Hydrochloric Acid SCHEMBL8629651 0.79 ALDH1A1 (0.42) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718599-A4 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS EXXONMOBIL RES & ENG CO (US) 2008-06-25 EP disclosed
EP-1718599-A1 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS ExxonMobil Research and Engineering Company (US) 2006-11-08 EP disclosed
WO-2005082835-A1 SYNTHESIS OF STERICALLY HINDERED SECONDARY AMINOETHER ALCOHOLS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2005-09-09 WO disclosed
US-4853158-A CHEMICAL INTERMEDIATES; HYPOTENSIVE AGENTS SEITETSU KAGAKU CO., LTD. (JP) 1989-08-01 US disclosed