SCHEMBL29134633

SCHEMBL29134633

CC1(C)OB(c2ccc(C(O)CF)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
LIPG Q9Y5X9 13/20 0.49
LPL P06858 12/20 0.49
F11 P03951 3/20 0.45
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
PRSS2 P07478 2/20 0.40
PRSS3 P35030 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA12 O43570 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
P4HB P07237 1/20 0.38

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
SCHEMBL237794 0.85 ESR2 (0.50) ESR2LIPGLPLF11F2
SCHEMBL31376528 0.85 ESR2 (0.50) ESR2LIPGLPLF11F2
SCHEMBL19996345 0.80 LIPG (0.53) ESR2LIPGLPLF11F2
SCHEMBL29185329 0.80 ESR2 (0.49) ESR2LIPGLPLF11F2
SCHEMBL24775237 0.79 LIPG (0.52) ESR2LIPGLPLF11F2
SCHEMBL24774874 0.79 LIPG (0.52) ESR2LIPGLPLF11F2
SCHEMBL14694622 0.79 LIPG (0.52) ESR2LIPGLPLF11F2
SCHEMBL15481251 0.78 ESR2 (0.58) ESR2LIPGLPLF11F2
SCHEMBL4508180 0.78 LPL (0.50) ESR2LIPGLPLF11F2
SCHEMBL3213609 0.78 LPL (0.50) ESR2LIPGLPLF11F2

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
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed