SCHEMBL8888034

SCHEMBL8888034

COc1ccc(C=O)cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
TSHR P16473 1/20 0.62
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
FDPS P14324 1/20 0.50
TTR P02766 1/20 0.50
AOX1 Q06278 1/20 0.49
TRIM24 O15164 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
LMNA P02545 2/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL145513 0.94 ALDH1A1 (0.62) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL14387566 0.84 TUBB1 (0.55)
SCHEMBL2001921 0.83 ALDH1A1 (0.42) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL17396312 0.83 ALDH1A1 (0.47) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL17318087 0.83 ALDH1A1 (0.68) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL9958281 0.82 ALDH1A1 (0.72) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL2004462 0.82 ALDH1A1 (0.41) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL1786055 0.81 ALDH1A1 (0.40) ALDH1A1TSHRHPGDSMN1; SMN2FDPS
SCHEMBL147333 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHPGDSMN1; SMN2MAPK1
SCHEMBL2001231 0.81 GAA (0.53) ALDH1A1TSHRHPGDFDPSTDP1

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
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed