SCHEMBL26488574

SCHEMBL26488574

CC1(C)OB(c2ccc(NCC(F)F)nc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.43
LPL P06858 8/20 0.40
LIPG Q9Y5X9 8/20 0.40
AAK1 Q2M2I8 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ESR2 Q92731 1/20 0.35
HCAR3 P49019 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
F11 P03951 1/20 0.35

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
SCHEMBL2180601 0.87 HCAR3 (0.48) DGAT1LPLLIPGAAK1CA1
SCHEMBL18436775 0.84 DGAT1 (0.44) DGAT1LPLLIPGAAK1USP30
SCHEMBL26484932 0.82 AAK1 (0.38) DGAT1LPLLIPGAAK1USP30
SCHEMBL2432651 0.82 LPL (0.50) DGAT1LPLLIPGCA1CA2
SCHEMBL19996746 0.78 DGAT1 (0.43) DGAT1LPLLIPGUSP30CA1
SCHEMBL182973 0.78 DGAT1 (0.46) DGAT1LPLLIPGUSP30CA1
SCHEMBL22674352 0.78 DGAT1 (0.43) DGAT1LPLLIPGUSP30CA1
SCHEMBL182754 0.77 DGAT1 (0.46) DGAT1LPLLIPGCA1CA2
SCHEMBL30059627 0.77 DGAT1 (0.46) DGAT1LPLLIPGCA1CA2
SCHEMBL20894366 0.76 HCAR3 (0.50) DGAT1LPLLIPGUSP30CA1

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-2023072248-A1 PYRIDYL-CONTAINING COMPOUND 正大天晴药业集团股份有限公司 2023-05-04 WO disclosed