SCHEMBL9711377

SCHEMBL9711377

COc1cc(C)c(S(=O)(=O)O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B2 P37059 1/20 0.41
BRD4 O60885 2/20 0.41
TP53 P04637 1/20 0.41
CREBBP Q92793 1/20 0.41
TUBB1 Q9H4B7 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
RAB9A P51151 1/20 0.38
CDC25A P30304 1/20 0.37
CDC25B P30305 1/20 0.37

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
SCHEMBL13518302 0.81 ALDH1A1 (0.47) MPLKMT2AALDH1A1LMNAMAPT
SCHEMBL10231835 0.81 KMT2A (0.45) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL14453590 0.81 KMT2A (0.57) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL4882116 0.80 PKM (0.51) KMT2AALDH1A1LMNAMEN1L3MBTL1
SCHEMBL13564402 0.78 KMT2A (0.45) MPLKMT2AALDH1A1LMNAMAPT
SCHEMBL12556808 0.78 BRD4 (0.46) MPLKMT2AALDH1A1LMNAMAPT
SCHEMBL13518990 0.78 ALDH1A1 (0.50) MPLKMT2AALDH1A1LMNAMAPT
SCHEMBL15423698 0.77 SMN1; SMN2 (0.40) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL153566 0.76 PKM (0.56) KMT2AALDH1A1LMNAMEN1L3MBTL1
SCHEMBL343857 0.76 KMT2A (0.41) MPLKMT2AALDH1A1LMNAMAPT

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
EP-0279477-B1 CARBONYLATION PROCESS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-05-06 EP disclosed
EP-0168876-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID ESTERS OF HYDROXY SULFONATES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-08-16 EP disclosed
EP-0279477-A1 Carbonylation process SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-08-24 EP disclosed
EP-0168876-A2 Process for the preparation of carboxylic acid esters of hydroxy sulfonates SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-01-22 EP disclosed