SCHEMBL7812980

SCHEMBL7812980

O=[C]NCCCCCCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.62
L3MBTL1 Q9Y468 1/20 0.55
TRPV1 Q8NER1 1/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50

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
SCHEMBL11104163 1.00 SIGMAR1 (0.62) SIGMAR1L3MBTL1TRPV1MEN1KMT2A
SCHEMBL5256815 1.00 SIGMAR1 (0.62) SIGMAR1L3MBTL1TRPV1MEN1KMT2A
SCHEMBL11106258 1.00 SIGMAR1 (0.62) SIGMAR1L3MBTL1TRPV1MEN1KMT2A
SCHEMBL5250174 1.00 SIGMAR1 (0.62) SIGMAR1L3MBTL1TRPV1MEN1KMT2A
SCHEMBL1270020 0.98 SIGMAR1 (0.59) SIGMAR1L3MBTL1TRPV1MEN1KMT2A
SCHEMBL2074321 0.92 SIGMAR1 (0.59) SIGMAR1L3MBTL1MEN1KMT2A
SCHEMBL349780 0.84 ALDH1A1 (0.52) SIGMAR1L3MBTL1
SCHEMBL11103198 0.81 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL11107579 0.81 SIGMAR1 (0.62) SIGMAR1L3MBTL1
SCHEMBL5254490 0.80 HRH1 (0.57) L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed