SCHEMBL8134017

SCHEMBL8134017

C=CC(O)CCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SNCA P37840 1/20 0.32
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
YAP1 P46937 1/20 0.30
TEAD4 Q15561 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PSMB5 P28074 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
SCHEMBL8446501 0.84 SNCA (0.36) TDP1ALDH1A1POLBLMNAGAA
SCHEMBL21358780 0.82 TYR (0.41) TDP1ALDH1A1LMNAGAAMAPT
SCHEMBL10596213 0.80 ALDH1A1 (0.41) TDP1ALDH1A1LMNAGAAMAPT
SCHEMBL10598218 0.77 SNCA (0.39) TDP1ALDH1A1LMNAGAAMAPT
SCHEMBL729517 0.76 POLB (0.57) TDP1ALDH1A1POLBLMNAGAA
SCHEMBL9277018 0.76 LMNA (0.47) ALDH1A1POLBLMNAMAPTHTT
SCHEMBL1804750 0.76 SNCA (0.38) TDP1ALDH1A1LMNAGAAMAPT
SCHEMBL1727437 0.76 SNCA (0.38) TDP1ALDH1A1LMNAGAAMAPT
SCHEMBL3339141 0.76 FFAR4 (0.40) TDP1ALDH1A1LMNAGAAMAPT
SCHEMBL16684874 0.75 LMNA (0.43) ALDH1A1POLBLMNAMAPTHTT

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-1029854-A1 Oxazolidinones and their use as antibacterial agents BAYER AG (DE) 2000-08-23 EP disclosed