SCHEMBL7702331

SCHEMBL7702331

CCOC(=O)C1=Cc2cccc(S(=O)(=O)N3CCOCC3)c2OCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
MAPK1 P28482 4/20 0.45
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
USP2 O75604 3/20 0.45
HSD17B10 Q99714 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
MITF O75030 1/20 0.45
NTSR1 P30989 1/20 0.45
KMT2A Q03164 4/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
CREBBP Q92793 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL7697790 0.85 ALDH1A1 (0.35) ALDH1A1MAPK1TSHRSMN1; SMN2USP2
SCHEMBL7702817 0.84 ALDH1A1 (0.37) ALDH1A1TSHRTP53MAPTKMT2A
SCHEMBL7700172 0.84 ALDH1A1 (0.35) ALDH1A1TSHRSMN1; SMN2TP53MAPT
SCHEMBL7699554 0.83 CA2 (0.37) ALDH1A1TSHRMAPTKMT2AMEN1
SCHEMBL7385262 0.81 PIK3CA (0.44) ALDH1A1MAPK1USP2HSD17B10TP53
SCHEMBL7701172 0.81 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2TP53KMT2A
SCHEMBL7702338 0.79 TSHR (0.44) ALDH1A1MAPK1TSHRSMN1; SMN2USP2
SCHEMBL7385104 0.78 NOTUM (0.40) ALDH1A1MAPK1TSHRSMN1; SMN2MAPT
SCHEMBL7385304 0.78 MAPT (0.39) ALDH1A1TSHRTP53MAPTKMT2A
SCHEMBL7699846 0.77 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2USP2HSD17B10

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
US-6346527-B1 1-BENZOXEPIN DERIVATIVES USED IN THE PREVENTION OF SODIUM AND HYDROGEN ION EXCHANGE; CARDIOVASCULAR, KIDNEY AND BRAIN DISORDER TREATMENT; ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-12 US disclosed
EP-1073650-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-07 EP disclosed
WO-1999055690-A1 GUANIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-11-04 WO disclosed