SCHEMBL7386010

SCHEMBL7386010

CCOC(=O)C1=Cc2cccc(NS(C)(=O)=O)c2OCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 5/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 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
SCHEMBL7700693 0.90 CA1 (0.42) TSHRHSD17B10KDM4EHPGDALDH1A1
SCHEMBL7699566 0.89 LMNA (0.36) TSHRHSD17B10KDM4EHPGDRECQL
SCHEMBL7388616 0.85 TSHR (0.45) TSHRKDM4EHPGDALDH1A1MAPK1
SCHEMBL7695368 0.84 ALDH1A1 (0.47) TSHRHSD17B10HPGDALDH1A1MAPK1
SCHEMBL7382828 0.83 L3MBTL1 (0.40) TSHRHSD17B10KDM4EHPGDALDH1A1
SCHEMBL7388954 0.83 ALDH1A1 (0.41) TSHRHSD17B10KDM4EHPGDALDH1A1
SCHEMBL7702817 0.83 ALDH1A1 (0.37) TSHRKDM4EHPGDRECQLALDH1A1
SCHEMBL7697790 0.82 ALDH1A1 (0.35) TSHRHSD17B10KDM4EHPGDALDH1A1
SCHEMBL7883347 0.82 L3MBTL1 (0.34) TSHRKDM4EALDH1A1MAPK1L3MBTL1
SCHEMBL7385104 0.82 NOTUM (0.40) TSHRKDM4EALDH1A1MAPK1LMNA

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
WO-1998055475-A1 GUANIDINE DERIVIATIVES AS INHIBITORS OF NA+/H+ EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-10 WO disclosed