SCHEMBL22280755

SCHEMBL22280755

CCOC(=O)C1CC1c1cccc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.40
LPL P06858 1/20 0.40
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.38
ROCK1 Q13464 1/20 0.37
SLC9A1 P19634 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL30685342 1.00 LIPG (0.40) LIPGLPLMAPTPKMLMNA
SCHEMBL26363672 1.00 LIPG (0.40) LIPGLPLMAPTPKMLMNA
SCHEMBL22273384 1.00 LIPG (0.40) LIPGLPLMAPTPKMLMNA
SCHEMBL10517 0.86 LIPG (0.40) LIPGLPLMAPTPKMALDH1A1
SCHEMBL6510 0.86 LIPG (0.40) LIPGLPLMAPTPKMALDH1A1
SCHEMBL7078 0.86 LIPG (0.40) LIPGLPLMAPTPKMALDH1A1
SCHEMBL2780398 0.86 LIPG (0.40) LIPGLPLMAPTPKMALDH1A1
SCHEMBL3452373 0.84 PRMT5 (0.37) LIPGLPLROCK1SLC9A1
SCHEMBL3452376 0.84 PRMT5 (0.37) LIPGLPLROCK1SLC9A1
SCHEMBL13310395 0.84 PRMT5 (0.37) LIPGLPLROCK1SLC9A1

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 4 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
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
CN-113631168-A GPR35 modulators 普罗米修斯生物科学公司 2021-11-09 CN disclosed
WO-2020154492-A1 GPR35 MODULATORS PROMETHEUS BIOSCIENCES, INC. (US) 2020-07-30 WO disclosed