SCHEMBL27150754

SCHEMBL27150754

CC(C)(S)CC(=O)O.CC(C)(S)CC(=O)O.CCCC(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
ADRA1A P35348 2/20 0.38
HMGCR P04035 1/20 0.38
TBXA2R P21731 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HSPD1 P10809 1/20 0.34
BLM P54132 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
SCHEMBL1171817 0.81 CHRM1 (0.41) CHRM1ADRA1ATDP1TSHRAKR1A1
SCHEMBL9021229 0.81 CHRM1 (0.41) CHRM1ADRA1ATDP1TSHRAKR1A1
SCHEMBL28077477 0.80 CYP2D6 (0.41) CHRM1ADRA1AHMGCRTBXA2RTDP1
SCHEMBL869206 0.80
SCHEMBL29544360 0.78 TET2 (0.47) CHRM1ADRA1AHMGCRTBXA2RTDP1
Hydrochloric Acid SCHEMBL7712977 0.78
SCHEMBL869582 0.76 HMGCR (0.46) CHRM1ADRA1AHMGCRTBXA2RTDP1
SCHEMBL869890 0.76 HMGCR (0.46) CHRM1ADRA1AHMGCRTBXA2RTDP1
Thioglycolic Acid SCHEMBL632804 0.76 HDAC1 (0.44) CHRM1ADRA1ATDP1TSHRAKR1A1
Pivalate SCHEMBL1142631 0.76 CHRM1 (0.44) CHRM1ADRA1ATDP1CYP2D6TSHR

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
EP-4328206-A1 RECESS FILLING MATERIAL KIT, CURED PRODUCT OF SAME, AND RECESS FILLING METHOD Resonac Corporation (JP) 2024-02-28 EP disclosed