SCHEMBL28564928

SCHEMBL28564928

CC1(C)OB(c2ccc(CCCO)nc2)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.43
LIPG Q9Y5X9 12/20 0.43
LPL P06858 11/20 0.43
F11 P03951 1/20 0.38
FFAR1 O14842 1/20 0.37
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
CXCR2 P25025 1/20 0.34

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
SCHEMBL30064074 0.91 DGAT1 (0.45) DGAT1LIPGLPLF11FFAR1
SCHEMBL23816604 0.91 DGAT1 (0.45) DGAT1LIPGLPLF11FFAR1
SCHEMBL2316680 0.84 DGAT1 (0.47) DGAT1LIPGLPLF11FFAR1
SCHEMBL22748773 0.84 LPL (0.62) DGAT1LIPGLPLF11FFAR1
SCHEMBL23294857 0.83 LPL (0.41) DGAT1LIPGLPLF11FFAR1
SCHEMBL6937341 0.83 DGAT1 (0.44) DGAT1LIPGLPLF11CXCR2
SCHEMBL2426973 0.80 LPL (0.49) DGAT1LIPGLPLF11FFAR1
SCHEMBL29744209 0.80 LPL (0.49) DGAT1LIPGLPLF11FFAR1
SCHEMBL2585735 0.79 DGAT1 (0.46) DGAT1LIPGLPLF11FFAR1
SCHEMBL31469579 0.78 LPL (0.45) DGAT1LIPGLPLF11FFAR1

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
CN-112724134-B Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2022-04-01 CN disclosed
CN-113214247-A Azaindole derivative marrow cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2021-08-06 CN disclosed
CN-112724134-A Azaindazole bipyridine derivative myeloid cell proliferation inhibitor, preparation method and application thereof in pharmacy 复旦大学 2021-04-30 CN disclosed