SCHEMBL29663864

SCHEMBL29663864

OB(O)c1cccc(OCc2ccccc2Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
ENPP2 Q13822 1/20 0.47
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 2/20 0.45
F9 P00740 1/20 0.45
GCK P35557 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
MAPT P10636 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC26A4 O43511 1/20 0.43
IDO1 P14902 1/20 0.42
NR1H2 P55055 1/20 0.42

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
SCHEMBL21763 1.00 NR4A2 (0.59) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL9946041 0.88 NR4A2 (0.57) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL2562469 0.85 NR4A2 (0.61) NR4A2NPC1RAB9AENPP2NR4A1
SCHEMBL2562164 0.84 ENPP2 (0.50) NR4A2NPC1RAB9AENPP2MEN1
SCHEMBL2558815 0.83 NR4A2 (0.46) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL2556153 0.83 NR4A2 (0.60) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL29954245 0.83 NR4A2 (0.60) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL15332443 0.82 CCNB2 (0.52) NR4A2NPC1RAB9AMAOBENPP2
SCHEMBL4317982 0.82 MAOB (0.51) MAOBENPP2SPHK2SPHK1F9
SCHEMBL31240558 0.82 MAOB (0.51) MAOBENPP2SPHK2SPHK1F9

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-4067355-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYME (DUB) INHIBITORS Mission Therapeutics Limited (GB) 2022-10-05 EP disclosed
EP-3423454-B1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS MISSION THERAPEUTICS LTD (GB) 2022-05-25 EP disclosed