SCHEMBL5081980

SCHEMBL5081980

CC(=O)Nc1c(O)c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 3/20 0.58
ALDH1A1 P00352 2/20 0.47
HIF1A Q16665 2/20 0.47
PRMT1 Q99873 2/20 0.47
CA2 P00918 1/20 0.47
CA3 P07451 1/20 0.47
CYP1A2 P05177 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PRMT3 O60678 1/20 0.45
EP300 Q09472 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
ENPP2 Q13822 6/20 0.43
CD40 P25942 1/20 0.42
CD40LG P29965 1/20 0.42
NT5E P21589 1/20 0.41
CYP2C9 P11712 1/20 0.41
NSD2 O96028 1/20 0.40

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
SCHEMBL11209410 0.83 CASP6 (0.60) CASP6ALDH1A1HIF1APRMT1CYP1A2
SCHEMBL8367846 0.78 CASP6 (0.68) CASP6ALDH1A1PRMT1CA2CA3
SCHEMBL4280353 0.78 ALDH1A1 (0.54) CASP6ALDH1A1HIF1APRMT1CYP1A2
SCHEMBL3203561 0.78 ALDH1A1 (0.54) CASP6ALDH1A1HIF1APRMT1CYP1A2
SCHEMBL4280346 0.76 ALDH1A1 (0.53) CASP6ALDH1A1HIF1APRMT1CYP1A2
SCHEMBL11759576 0.76 ALDH1A1 (0.53) CASP6ALDH1A1HIF1APRMT1CYP1A2
SCHEMBL20299286 0.76 CASP6 (0.74) CASP6ALDH1A1PRMT1CA2CA3
SCHEMBL9350146 0.75 ALDH1A1 (0.52) CASP6ALDH1A1HIF1APRMT1CYP1A2
SCHEMBL11215283 0.74 CASP6 (0.53) CASP6ALDH1A1PRMT1CYP1A2TDP1
SCHEMBL7112439 0.74 KCNJ11 (0.71) CASP6KCNJ11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335411-B2 Method of producing a tire composition having improved silica reinforcement BRIDGESTONE CORPORATION (JP) 2008-02-26 US disclosed
US-20060089446-A1 Method of producing a tire composition having improved silica reinforcement BRIDGESTONE CORPORATION 2006-04-27 US disclosed