SCHEMBL19004952

SCHEMBL19004952

C[C@H]1CC1Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
LPL P06858 8/20 0.33
LIPG Q9Y5X9 8/20 0.33
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL18986077 1.00 FFAR1 (0.55) FFAR1LPLLIPGIRAK4
SCHEMBL1559915 0.82 FFAR1 (0.57) FFAR1LPLLIPGIRAK4
SCHEMBL24092599 0.82 FFAR1 (0.51) FFAR1LPLLIPG
SCHEMBL28507860 0.82 FFAR1 (0.53) FFAR1LPLLIPGIRAK4
SCHEMBL31030386 0.81 FFAR1 (0.56) FFAR1LPLLIPGIRAK4
SCHEMBL18985768 0.81 FFAR1 (0.56) FFAR1LPLLIPGIRAK4
SCHEMBL31753610 0.81 FFAR1 (0.52) FFAR1LPLLIPG
SCHEMBL2535927 0.80 FFAR1 (0.58) FFAR1LPLLIPGIRAK4
SCHEMBL2997065 0.80 FFAR1 (0.55) FFAR1LPLLIPGIRAK4
SCHEMBL16968061 0.80 FFAR1 (0.55) FFAR1LPLLIPGIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017102091-A1 HETEROARYLBENZIMIDAZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 WO disclosed