SCHEMBL6685387

SCHEMBL6685387

C=Cc1ccc(C)c(C)c1S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.37
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
NT5E P21589 1/20 0.35
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
METAP2 P50579 1/20 0.33
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 2/20 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
SCHEMBL9645155 0.84 TDP1 (0.36) TDP1GAAALDH1A1TP53GLA
SCHEMBL18289495 0.82 TDP1 (0.46) TDP1ALDH1A1TP53NT5ESMN1; SMN2
SCHEMBL28865694 0.81 ALDH1A1 (0.33) ALDH1A1METAP2TDP2NSD2HSP90AA1
SCHEMBL167674 0.78 SLC9A1 (0.37) TDP1GAAALDH1A1TP53GLA
SCHEMBL2868079 0.78 TDP2 (0.39) TDP1GAAALDH1A1TP53GLA
SCHEMBL28115708 0.76 SLC9A1 (0.36) TDP1GAAALDH1A1TP53GLA
SCHEMBL3199219 0.76 TDP1 (0.38) TDP1
SCHEMBL6554374 0.75 TDP1 (0.35) TDP1ALDH1A1METAP2
SCHEMBL151072 0.74 MEN1 (0.42) TDP1GAAALDH1A1TP53GLA
SCHEMBL1355486 0.74 TDP1 (0.43) TDP1ALDH1A1SMN1; SMN2HSD17B10KDM4E

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-2004067470-A1 COMPOSITION COMPRINSING A HYDRAULIC BINDER AND A LATEX HAVING A SULFONATE, SULFONIC OR SULFOBETAINE FUNCTIONAL GROUP RHODIA CHIMIE (FR) 2004-08-12 WO disclosed