SCHEMBL8923976

SCHEMBL8923976

Cc1cc(S(=O)(=O)OC[O])cc(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP19A1 P11511 1/20 0.32
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL4684137 0.84 KDM4E (0.32) LMNATDP1ALDH1A1CYP19A1KDM4E
SCHEMBL8923981 0.82 ALDH1A1 (0.36) LMNATDP1ALDH1A1CYP19A1MAPK1
SCHEMBL4686793 0.82 TSHR (0.33) LMNATDP1ALDH1A1CYP19A1KMT2A
SCHEMBL4684141 0.79 ALDH1A1 (0.37) LMNAALDH1A1MAPK1GAA
SCHEMBL27341025 0.76 LMNA (0.35) LMNATDP1ALDH1A1KDM4EMAPT
SCHEMBL28866557 0.74 LMNA (0.34) LMNATDP1ALDH1A1KDM4EMAPT
SCHEMBL17256433 0.72 GAA (0.50) LMNAALDH1A1KMT2AMAPK1GAA
SCHEMBL9001244 0.69 GAA (0.43) LMNATDP1ALDH1A1KMT2AKDM4E
SCHEMBL8937977 0.67 LMNA (0.39) LMNATDP1ALDH1A1CYP19A1KMT2A
SCHEMBL15041660 0.67 LMNA (0.39) LMNATDP1ALDH1A1KMT2AKDM4E

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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed