SCHEMBL8409708

SCHEMBL8409708

CCc1ccccc1-c1cccc(C(=O)OC)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TSHR P16473 2/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MITF O75030 1/20 0.49
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.46
MAPK10 P53779 2/20 0.46
MEN1 O00255 1/20 0.46
PTK2B Q14289 1/20 0.46
NCOA1 Q15788 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
SLC6A3 Q01959 5/20 0.45
SLC6A4 P31645 3/20 0.45
CFTR P13569 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL25143785 0.87 SLC6A3 (0.54) LMNATSHRALDH1A1MAPTHTT
SCHEMBL28452243 0.85 GABRA1 (0.57) LMNATSHRALDH1A1MAPTMITF
SCHEMBL8406933 0.82 HNF4A (0.61) LMNAALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2873445 0.81 ALDH1A1 (0.46) LMNATSHRALDH1A1MAPTHTT
SCHEMBL156281 0.79 ALDH1A1 (0.66) LMNATSHRALDH1A1MAPTHTT
SCHEMBL27875963 0.79 HTT (0.50) LMNATSHRALDH1A1MAPTHTT
SCHEMBL4827474 0.79 HNF4A (0.66) LMNATSHRALDH1A1MAPTMITF
SCHEMBL9755152 0.78 LMNA (0.53) LMNATSHRALDH1A1MAPTMITF
SCHEMBL6274458 0.78 ALDH1A1 (0.51) LMNATSHRALDH1A1HTTKMT2A
SCHEMBL1538293 0.77 TSHR (0.65) LMNATSHRALDH1A1MAPTMITF

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
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed