SCHEMBL7496340

SCHEMBL7496340

[CH2]CCc1cc(OCC)c(OCC)c(OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
HTR2B P41595 1/20 0.53
TSHR P16473 3/20 0.46
CALM1 P0DP23 1/20 0.40
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
TUBB1 Q9H4B7 2/20 0.36

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
SCHEMBL11392849 0.89 HTR2A (0.50) HTR2AHTR2CHTR2BTSHRCALM1
SCHEMBL6775456 0.83 TSHR (0.48) HTR2AHTR2CHTR2BTSHRGAA
SCHEMBL20970954 0.80 HTR2A (0.79) HTR2AHTR2CHTR2BTSHRCALM1
SCHEMBL5273093 0.79 SMN1; SMN2 (0.39) HTR2AHTR2CHTR2BSMN1; SMN2LMNA
SCHEMBL6196869 0.79 HTR2A (0.45) HTR2AHTR2CHTR2BTSHRCALM1
SCHEMBL6196873 0.79 HTR2A (0.45) HTR2AHTR2CHTR2BTSHRCALM1
SCHEMBL7493068 0.78 CALM1 (0.54) TSHRCALM1GAASMN1; SMN2LMNA
SCHEMBL5267095 0.78 THRA (0.42) HTR2AHTR2CHTR2BSMN1; SMN2KMT2A
SCHEMBL7426586 0.77 HTR2A (0.50) HTR2AHTR2CHTR2BTSHRCALM1
SCHEMBL7954477 0.77 TSHR (0.43) HTR2AHTR2CHTR2BTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638075-B1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-01-16 EP disclosed
CN-1067992-C Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 2001-07-04 CN disclosed
CN-1184105-A Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 1998-06-10 CN disclosed
CN-1037842-C Substituted thiazolidine derivatives, pharmaceutical compositions and uses thereof OTSUKA PHARMA CO LTD (JP) 1998-03-25 CN disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
CN-1106982-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1995-08-16 CN disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO disclosed