SCHEMBL29616472

SCHEMBL29616472

CCOP(=O)(Cc1ccc(C(F)(F)F)cc1C(F)(F)F)OCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLQ O75417 9/20 0.44
DAO P14920 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
CES2 O00748 1/20 0.38
EGFR P00533 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL23148999 1.00 POLQ (0.44) POLQDAOKDM4EALDH1A1MAPT
SCHEMBL18280121 0.88 SRD5A2 (0.40) POLQCES2EGFRMEN1KMT2A
SCHEMBL28736930 0.85 IDO1 (0.48) POLQDAOEGFRMEN1KMT2A
SCHEMBL10823319 0.84 DAO (0.41) DAOMAPTEGFRMEN1KMT2A
SCHEMBL22462892 0.84 LMNA (0.40) POLQMAPTEGFRMEN1KMT2A
SCHEMBL24357851 0.84 LMNA (0.38) MAPTEGFRKMT2ANPSR1LMNA
SCHEMBL27401901 0.83 ANO1 (0.41) ALDH1A1EGFRMEN1KMT2ANPSR1
SCHEMBL30836007 0.83 ANO1 (0.41) ALDH1A1EGFRMEN1KMT2ANPSR1
SCHEMBL11206400 0.81 EGFR (0.34) POLQMAPTEGFREPHX2
SCHEMBL11202572 0.81 DDR1 (0.35) ALDH1A1EGFRMEN1KMT2ANPSR1

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
EP-4034538-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
CN-114401968-A Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed