SCHEMBL6325501

SCHEMBL6325501

CC(C)N(c1ccc(Cl)cc1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.45
RORC P51449 1/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HTT P42858 1/20 0.41
CES1 P23141 1/20 0.40
SLC2A2 P11168 1/20 0.39
PTGS2 P35354 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CRY1 Q16526 1/20 0.38

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
SCHEMBL2280446 0.82 HTT (0.58) HSD11B1ALDH1A1MAPK1HTTTP53
SCHEMBL8224812 0.79 HSD11B1 (0.40) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL2695402 0.78 ESR1 (0.55) HSD11B1ALDH1A1HTTCES1CA12
SCHEMBL2278952 0.78 MAPK1 (0.54) ALDH1A1KDM4EMAPK1HTTTP53
SCHEMBL1355880 0.75 ESR1 (0.36) HSD11B1KDM4EMAPK1HTTSMN1; SMN2
SCHEMBL5109984 0.75 L3MBTL1 (0.36) HSD11B1ALDH1A1HSD17B10MAPK1HTT
SCHEMBL6320855 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDALOX15HSD17B10
SCHEMBL2995730 0.73 L3MBTL1 (0.49) HSD11B1ALDH1A1HSD17B10MAPK1TDP1
SCHEMBL4059596 0.72 MMP2 (0.47) MAPK1RORCPSEN1PSEN2APH1B
SCHEMBL10907104 0.72 CA12 (0.48) ALDH1A1KDM4EHPGDALOX15HSD17B10

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed