SCHEMBL9008002

SCHEMBL9008002

COC(=O)c1cccc(S(=O)(=O)O)c1.[Na]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 2/20 0.59
KMT2A Q03164 1/20 0.59
POLB P06746 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
LOX P28300 1/20 0.53
TCF4 P15884 2/20 0.52
CTNNB1 P35222 2/20 0.52
TSHR P16473 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.51
SLC40A1 Q9NP59 1/20 0.51
ACLY P53396 2/20 0.50
GAA P10253 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
CTSG P08311 1/20 0.50
CMA1 P23946 1/20 0.50

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
SCHEMBL1100084 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL38455 0.98 ALDH1A1 (0.58) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL28454804 0.90 TSHR (0.58) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL3910528 0.88 KMT2A (0.50) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL9440687 0.88 KMT2A (0.50) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL2884607 0.87 LOX (0.66) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL2651155 0.86 POLB (0.61) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL3293304 0.86 POLB (0.57) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL28708354 0.85 KDM4E (0.55) ALDH1A1KDM4EKMT2APOLBCA12
SCHEMBL11174359 0.85 TSHR (0.50) ALDH1A1KDM4EKMT2APOLBCA1

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
US-5488123-A SULFONATED; TEXTILE FINISHING; ANTISOILANTS, ANTISTATIC AGENTS CASSELLA AG (DE) 1996-01-30 US disclosed