SCHEMBL14038245

SCHEMBL14038245

COc1cc(C)ccc1C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
PLAU P00749 1/20 0.52
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
ALDH1A1 P00352 3/20 0.49
PARP15 Q460N3 4/20 0.48
PARP10 Q53GL7 3/20 0.48
NNMT P40261 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK8 P45983 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CHEK1 O14757 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.44
RAD52 P43351 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44

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
SCHEMBL704024 1.00 ACHE (0.57) ACHEPLAUMKNK1MKNK2ALDH1A1
SCHEMBL2190365 0.86 ACHE (0.59) ACHEALDH1A1NNMTCYP3A4MAPK8
SCHEMBL365917 0.82 ALDH1A1 (0.65) ACHEPLAUALDH1A1IDO1TDO2
SCHEMBL2064454 0.82 HTT (0.59) ACHEPLAUALDH1A1CYP3A4IDO1
SCHEMBL28623246 0.81 ACHE (0.48) ACHEPLAUALDH1A1CYP3A4IDO1
SCHEMBL8115082 0.81 PLAU (0.53) ACHEPLAUALDH1A1MEN1KMT2A
SCHEMBL1354320 0.81 ALDH1A1 (0.73) MKNK1MKNK2ALDH1A1PARP15PARP10
SCHEMBL3787323 0.81 MAPK1 (0.60) MKNK1MKNK2ALDH1A1PARP15PARP10
SCHEMBL1034025 0.81 ALDH1A1 (0.68) ALDH1A1PARP15PARP10KMT2AHPGD
SCHEMBL4115468 0.81 MAOB (0.55) MKNK1MKNK2ALDH1A1PARP15PARP10

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-2562170-A1 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-oxo-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-27 EP disclosed
EP-1988085-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-HYDROXY-1,2-BEZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2008-11-05 EP disclosed