SCHEMBL9529242

SCHEMBL9529242

CC(C)(C)OC(=O)CC1(O)OC(=O)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDK2 Q15119 5/20 0.38
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CFTR P13569 1/20 0.36
GOPC Q9HD26 1/20 0.36
MALT1 Q9UDY8 1/20 0.36
MAPT P10636 5/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GPR55 Q9Y2T6 2/20 0.36
ESR1 P03372 1/20 0.36
TP53 P04637 1/20 0.36
TYMS P04818 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 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
SCHEMBL9529272 0.82 TDP2 (0.47) SMN1; SMN2PDK2GAAMAPTLMNA
SCHEMBL1231515 0.76 APEX1 (0.45) PTPRCPDK2MAPTMEN1KMT2A
SCHEMBL9502317 0.74 SMN1; SMN2 (0.47) SMN1; SMN2GAAPKMCFTRGOPC
Acetic Acid SCHEMBL9529275 0.72 SMN1; SMN2 (0.47) SMN1; SMN2GAAPKMCFTRGOPC
SCHEMBL11848675 0.71 CFTR (0.47) SMN1; SMN2GAAPKMCFTRGOPC
SCHEMBL9975204 0.71 CFTR (0.46) SMN1; SMN2GAAPKMCFTRGOPC
SCHEMBL21605738 0.70 CFTR (0.37) SMN1; SMN2GAAPKMCFTRGOPC
SCHEMBL21325292 0.69 NPSR1 (0.49) SMN1; SMN2GAAPKMCFTRGOPC
SCHEMBL29502553 0.69 NPSR1 (0.49) SMN1; SMN2GAAPKMCFTRGOPC
SCHEMBL6271326 0.69 NPSR1 (0.49) SMN1; SMN2GAAPKMCFTRGOPC

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-0295051-B1 PREPARATION OF OXOPHTHALAZINYL ACETIC ACIDS HAVING BENZOTHIAZOLE OR OTHER HETEROCYCLIC SIDE CHAINS PFIZER INC. (US) 1993-06-09 EP disclosed
US-4900844-A Intermediates for the preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1990-02-13 US disclosed
US-4868301-A Processes and intermediates for the preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1989-09-19 US disclosed
EP-0295051-A2 Preparation of oxophthalazinyl acetic acids having benzothiazole or other heterocyclic side chains PFIZER INC. (US) 1988-12-14 EP disclosed