SCHEMBL8648593

SCHEMBL8648593

COc1c(OCCN)cc(C)cc1S(=O)(=O)N(CC(O)CO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ATM Q13315 1/20 0.38
MCL1 Q07820 1/20 0.38
BACE1 P56817 3/20 0.38
GAA P10253 2/20 0.38
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL8647376 0.90 TSHR (0.41) TSHRHTTLMNAKMT2AMEN1
SCHEMBL7370518 0.79 F2 (0.53) TSHRHTTLMNAKMT2AMEN1
SCHEMBL8644824 0.71 MEN1 (0.48) TSHRLMNAKMT2AMEN1NPSR1
SCHEMBL10918866 0.69 KMT2A (0.76) HTTLMNAKMT2AMEN1GLA
SCHEMBL6747815 0.61 CYP1A2 (0.43) HTTLMNAKMT2AMEN1GAA
SCHEMBL2569357 0.60 ALDH1A1 (0.65) HTTLMNAKMT2AMEN1NPSR1
SCHEMBL6086898 0.59 HTT (0.48) TSHRHTTLMNAKMT2AMEN1
SCHEMBL6488101 0.58 KDM4E (0.42) LMNAKMT2AMEN1KDM4EALDH1A1
SCHEMBL25852986 0.57 RAB9A (0.63) TSHRLMNAATMKDM4ESMN1; SMN2
SCHEMBL25517569 0.56 L3MBTL1 (0.65) HTTLMNAKMT2AMEN1NPSR1

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-5795892-A ANTICOAGULANTS BOEHRINGER MANNEIM GMBH (DE) 1998-08-18 US disclosed