SCHEMBL8647376

SCHEMBL8647376

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.37
HTT P42858 2/20 0.37
MCL1 Q07820 1/20 0.36
KMT2A Q03164 4/20 0.34
BACE1 P56817 2/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
F2 P00734 1/20 0.33
MEN1 O00255 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPT P10636 1/20 0.33
GLA P06280 1/20 0.33
CETP P11597 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 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
SCHEMBL8648593 0.90 TSHR (0.43) TSHRLMNAHTTMCL1KMT2A
SCHEMBL7379150 0.80 F2 (0.53) TSHRLMNAHTTMCL1ALDH1A1
SCHEMBL8644824 0.69 MEN1 (0.48) TSHRLMNAKMT2AALDH1A1F2
SCHEMBL7370518 0.69 F2 (0.53) TSHRLMNAHTTMCL1KMT2A
SCHEMBL8664965 0.64 F2 (0.62) TSHRF2
SCHEMBL10918866 0.58 KMT2A (0.76) LMNAHTTKMT2ABACE1ALDH1A1
Adonitol SCHEMBL28530195 0.56 ALDH1A1 (0.42) TSHRLMNAHTTKMT2AALDH1A1
SCHEMBL25852986 0.55 RAB9A (0.63) TSHRLMNAALDH1A1MAPK1MAPT
Mannitol SCHEMBL14331829 0.54 LMNA (0.50) TSHRLMNAKMT2AALDH1A1MAPK1
SCHEMBL25517569 0.54 L3MBTL1 (0.65) LMNAHTTKMT2AALDH1A1MAPK1

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