SCHEMBL30460486

SCHEMBL30460486

Nc1ccc(S(=O)(=O)O)c2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HSD17B10 Q99714 4/20 0.57
CASP6 P55212 3/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
SENP2 Q9HC62 6/20 0.53
SENP3 Q9H4L4 5/20 0.53
SENP1 Q9P0U3 5/20 0.53
SUMO2 P61956 4/20 0.53
SUMO1 P63165 4/20 0.53
SENP7 Q9BQF6 4/20 0.53
TTR P02766 1/20 0.53
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
PHLPP2 Q6ZVD8 1/20 0.46
NT5E P21589 3/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
NSD2 O96028 2/20 0.42
DUSP3 P51452 1/20 0.42

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
SCHEMBL1807549 1.00 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL20497215 0.98 ALDH1A1 (0.56) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL9314959 0.97 TTR (0.54) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL1809362 0.93 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL31621937 0.93 ALDH1A1 (0.57) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL6051371 0.89 ALDH1A1 (0.59) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL30939652 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3296584 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3826526 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19
SCHEMBL3820809 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12286574-B2 Manipulating hydrophilicity of conventional dye molecules for tracer applications SAUDI ARABIAN OIL COMPANY (SA) 2025-04-29 US disclosed
US-11725139-B2 Manipulating hydrophilicity of conventional dye molecules for water tracer applications SAUDI ARABIAN OIL COMPANY (SA) 2023-08-15 US disclosed
US-20230235218-A1 MANIPULATING HYDROPHILICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-07-27 US disclosed
US-20230183564-A1 MANIPULATING HYDROPHILICITY OF CONVENTIONAL DYE MOLECULES FOR WATER TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US disclosed