SCHEMBL6810189

SCHEMBL6810189

OC1=C(c2ccccc2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGF23 Q9GZV9 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
PTGS2 P35354 1/20 0.41
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
BCL2L1 Q07817 2/20 0.39
MMP3 P08254 1/20 0.39
ESR1 P03372 4/20 0.38
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 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
SCHEMBL29681890 0.98 SLC6A2 (0.46) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL5006722 0.95 FGF23 (0.50) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL6566571 0.85 CFTR (0.42) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL8653245 0.82 PTGS2 (0.54) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL8705170 0.79 PTGS2 (0.52) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL30877921 0.79 PTGS2 (0.52) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL30144760 0.79 PTGS2 (0.52) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL8705175 0.79 PTGS2 (0.52) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL8518215 0.76 PTGS2 (0.59) FGF23SLC6A2SLC6A4SLC6A3PTGS2
SCHEMBL27874435 0.75 KMT2A (0.46) FGF23SLC6A2SLC6A4SLC6A3PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57109743-A None JP disclosed
US-20040116398-A1 Therapeutic applications of estrogenic carboxylic acids SOUTHERN ILLINOIS UNIVERSITY 2004-06-17 US disclosed
US-6608111-B1 Estrogenic carboxylic acids; administering bisdehydrodoisynolic acid SOUTHERN ILLINOIS UNIVERSITY OFFICE OF RESEARCH, DEVELOPMENT AND ADMINISTRATION 2003-08-19 US disclosed
WO-1999066915-A2 THERAPEUTIC APPLICATIONS OF ESTROGENIC CARBOXYLIC ACIDS SOUTHERN ILLINOIS UNIVERSITY AT CARBONDALE (US) 1999-12-29 WO disclosed
JP-S57109743-A PHENYLCYCLOHEXENE DERIVATIVE SUNTORY LTD 1982-07-08 JP disclosed