SCHEMBL9978174

SCHEMBL9978174

Cc1ccc(S(=O)(=O)C(C)(C)C(=O)NCCCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
MMP8 P22894 2/20 0.52
FKBP1A P62942 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
PLAAT3 P53816 1/20 0.50
PLAAT5 Q96KN8 1/20 0.50
PLAAT2 Q9NWW9 1/20 0.50
PLAAT4 Q9UL19 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.47

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
SCHEMBL9978171 0.89 POLB (0.59) POLBCYP2C9CYP2C19ALDH1A1MMP8
SCHEMBL9978172 0.87 POLB (0.56) POLBCYP2C9CYP2C19MMP8KMT2A
SCHEMBL9978179 0.87 MMP1 (0.58) POLBALDH1A1MMP8KMT2ALMNA
SCHEMBL9978003 0.86 POLB (0.59) POLBCYP2C9CYP2C19MMP8KMT2A
SCHEMBL9978175 0.86 ALDH1A1 (0.57) POLBCYP2C9ALDH1A1CYP1A2MMP8
SCHEMBL14227538 0.82 MMP8 (0.50) POLBCYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL14227533 0.81 CNR2 (0.57) POLBALDH1A1MMP8KMT2ALMNA
SCHEMBL9978211 0.80 POLB (0.60) POLBCYP2C9CYP2C19ALDH1A1MMP8
SCHEMBL9978216 0.79 POLB (0.53) POLBCYP2C9CYP2C19ALDH1A1CYP1A2
SCHEMBL12356333 0.76 POLB (1.00) POLBCYP2C9CYP2C19ALDH1A1CYP1A2

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-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed