SCHEMBL28831097

SCHEMBL28831097

CC(O)c1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.41
LIPG Q9Y5X9 7/20 0.41
P4HB P07237 1/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
LIPE Q05469 2/20 0.31
F11 P03951 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 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
SCHEMBL31301038 0.85 LPL (0.43) LPLLIPGP4HBANPEPLAP3
SCHEMBL4232484 0.85 LPL (0.43) LPLLIPGP4HBANPEPLAP3
SCHEMBL17442380 0.83 JAK2 (0.36) LPLLIPGANPEPLAP3
SCHEMBL29486902 0.82 LPL (0.41) LPLLIPGP4HBANPEPLAP3
SCHEMBL22799649 0.81 LPL (0.38) LPLLIPGP4HBANPEPLAP3
SCHEMBL18865928 0.81 LPL (0.40) LPLLIPGP4HBANPEPLAP3
SCHEMBL29691041 0.81 LPL (0.40) LPLLIPGP4HBANPEPLAP3
SCHEMBL17442039 0.80 LPL (0.37) LPLLIPGP4HBANPEPLAP3
SCHEMBL17618242 0.80 LPL (0.42) LPLLIPGP4HBANPEPLAP3
SCHEMBL29469030 0.80 LPL (0.42) LPLLIPGP4HBANPEPLAP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
CN-115028631-A Triazole pyrimidine derivative, and pharmaceutical composition and application thereof 中国科学院上海药物研究所 2022-09-09 CN disclosed