SCHEMBL27439154

SCHEMBL27439154

CCC(C)C(C(=O)O)S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MME P08473 2/20 0.37
ACE P12821 2/20 0.37
CPA1 P15085 2/20 0.37
ACE2 Q9BYF1 2/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ENPEP Q07075 2/20 0.36
CA2 P00918 3/20 0.34
CA1 P00915 2/20 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
SCHEMBL19712061 0.80 TDP1 (0.37) MMEADRA1ATDP1TP53
SCHEMBL11590567 0.77 TDP1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL538319 0.75 TP53 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7498163 0.75 ALDH1A1 (0.34) ALDH1A1MMEACECPA1ACE2
SCHEMBL7501293 0.75 ALDH1A1 (0.34) ALDH1A1MMEACECPA1ACE2
SCHEMBL7496898 0.75 ALDH1A1 (0.34) ALDH1A1MMEACECPA1ACE2
SCHEMBL7496903 0.75 ALDH1A1 (0.34) ALDH1A1MMEACECPA1ACE2
SCHEMBL7499567 0.75 ALDH1A1 (0.34) ALDH1A1MMEACECPA1ACE2
SCHEMBL1129743 0.74 SRC (0.39) ALDH1A1TDP1TP53
SCHEMBL2723014 0.73 TP53 (0.36) TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1134152-A Substituted thiazolo [3, 2-alpha ] aza * derivatives EISAI CO LTD (JP) 1996-10-23 CN claimed
CN-1170832-C Substituted thiazol [3,2-alpha] azatropylidene derivatives ������������ʽ���� 2004-10-13 CN disclosed
CN-1262275-A Substituted thiazol [3,2-alpha] azatropylidene derivatives EISAI CO LTD (JP) 2000-08-09 CN disclosed
CN-1053908-C Substituted thiazolo [3, 2-alpha ] aza * derivatives EISAI CO LTD (JP) 2000-06-28 CN disclosed
CN-1134152-A Substituted thiazolo [3, 2-alpha ] aza * derivatives EISAI CO LTD (JP) 1996-10-23 CN disclosed