SCHEMBL9726275

SCHEMBL9726275

CCCOC(=O)c1ccc(C(=O)Oc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 8/20 0.59
▸ MAPT P10636 5/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ ALDH1A1 P00352 3/20 0.54
▸ ESR1 P03372 1/20 0.54
▸ CHRM1 P11229 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ SLC6A2 P23975 1/20 0.54
▸ KDR P35968 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LMNA P02545 1/20 0.51
▸ PRSS1 P07477 4/20 0.51
▸ ACR P10323 4/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ THRB P10828 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
SCHEMBL9726255 0.93 STS (0.60) STSMAPTKMT2AALDH1A1ESR1
SCHEMBL7085123 0.91 ALDH1A1 (0.64) STSMAPTKMT2AALDH1A1ESR1
SCHEMBL9726260 0.88 STS (0.57) STSMAPTKMT2AESR1LMNA
SCHEMBL19373814 0.88 MAPT (0.70) STSMAPTKMT2AALDH1A1ESR1
SCHEMBL9726300 0.87 STS (0.58) STSMAPTKMT2AALDH1A1ESR1
Trimethylammonium SCHEMBL6652130 0.85 ALDH1A1 (0.57) STSMAPTKMT2AALDH1A1ESR1
SCHEMBL15279259 0.83 MAPT (0.51) MAPTKMT2ALMNAPRSS1ACR
SCHEMBL23553004 0.82 LMNA (0.77) STSMAPTKMT2AALDH1A1ESR1
SCHEMBL8208952 0.82 LMNA (0.77) STSMAPTKMT2AALDH1A1ESR1
SCHEMBL20987320 0.82 MAPT (0.63) STSMAPTKMT2AALDH1A1ESR1

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-5078907-A UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-01-07 — — US disclosed
Send feedback