SCHEMBL9711982

SCHEMBL9711982

O=Cc1ccccc1SCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
ERN1 O75460 3/20 0.38
SRC P12931 1/20 0.36
APOBEC3G Q9HC16 1/20 0.34
GAA P10253 1/20 0.34
DRD1 P21728 1/20 0.33
CYP1A2 P05177 2/20 0.32

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
SCHEMBL979786 0.84 MEN1 (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL2801460 0.79 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL7034585 0.79 CYP1A2 (0.58) LMNAKMT2AMEN1THRBBLM
SCHEMBL4439793 0.77 LMNA (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL7760109 0.76 PTGS2 (0.47) LMNAKMT2AMEN1THRBBLM
SCHEMBL14279407 0.76 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL3181540 0.76 POLB (0.55) LMNAKMT2AMEN1THRBBLM
SCHEMBL5363287 0.76 MEN1 (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL10364821 0.76 LMNA (0.44) LMNAKMT2AMEN1THRBBLM
SCHEMBL8973253 0.76 LMNA (0.55) LMNAKMT2AMEN1THRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309839-B1 PROCESS FOR THE PREPARATION OF OXYETHYL MERCAPTOBENZALDEHYDES, AND THEIR OXIDATION PRODUCTS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-04 EP disclosed
US-4922014-A Process for the preparation of oxethylmercaptobenzaldehydes and their oxidation products HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-01 US disclosed
EP-0309839-A1 Process for the preparation of oxyethyl mercaptobenzaldehydes, and their oxidation products HOECHST AKTIENGESELLSCHAFT (DE) 1989-04-05 EP disclosed