SCHEMBL8573240

SCHEMBL8573240

CC(=O)SCC(CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.53
FOLH1 Q04609 2/20 0.45
CPA1 P15085 2/20 0.38
CPB1 P15086 1/20 0.38
CPA3 P15088 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 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
SCHEMBL6351551 0.86 CPB2 (0.60) CPB2TDP1MMEACECHRM1
Hydrochloric Acid SCHEMBL10549891 0.84 CPB2 (0.58) CPB2TDP1MMEACECHRM1
SCHEMBL11483947 0.83 CPB2 (0.54) CPB2TDP1MMEACECHRM1
SCHEMBL20298604 0.82 CPB2 (0.53) CPB2TDP1MMEACECHRM1
SCHEMBL10549903 0.80 CPB2 (0.47) CPB2TDP1MMEACECHRM1
SCHEMBL14193615 0.80 CPB2 (0.40) CPB2FOLH1MMEACE
SCHEMBL6469867 0.80 CPB2 (0.55) CPB2TDP1MMEACECHRM1
SCHEMBL11438523 0.80 CPB2 (0.55) CPB2TDP1MMEACECHRM1
SCHEMBL10551424 0.80 CPB2 (0.55) CPB2FOLH1TDP1MMEACE
SCHEMBL6469865 0.80 CPB2 (0.55) CPB2TDP1MMEACECHRM1

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
WO-2018115091-A1 COMPOSITION COMPRISING BISTHIOLACTONES AND PROCESS FOR TREATING KERATIN MATERIALS USING SAME L'OREAL (FR) 2018-06-28 WO disclosed
WO-2018115091-A1 COMPOSITION COMPRISING BISTHIOLACTONES AND PROCESS FOR TREATING KERATIN MATERIALS USING SAME L'OREAL (FR) 2018-06-28 WO disclosed
US-5814629-A FUNGICIDES, BACTERICIDES AND VIRICIDES OF PLANTS NOVARTIS FINANCE CORPORATION (US) 1998-09-29 US disclosed
EP-0780394-A1 Microbicides Novartis AG (CH) 1997-06-25 EP disclosed