SCHEMBL9528244

SCHEMBL9528244

CCOC(=O)CC1OC(=O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
KDM4E B2RXH2 2/20 0.53
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RECQL P46063 1/20 0.50
IDO1 P14902 1/20 0.47
ATM Q13315 1/20 0.46
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL11102490 0.86 CYP1A2 (0.51) CYP1A2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7403091 0.85 LMNA (0.59) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL30637108 0.83 ALDH1A1 (0.58) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL16127925 0.81 LMNA (0.62) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL11113589 0.80 CYP1A2 (0.46) CYP1A2ALDH1A1KMT2AMEN1POLB
SCHEMBL28111637 0.80 ALDH1A1 (0.57) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL12714948 0.80 HPGD (0.46) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL13593519 0.80 LMNA (0.63) CYP1A2ALDH1A1HSD17B10LMNAKMT2A
SCHEMBL11112200 0.79 CYP1A2 (0.45) CYP1A2ALDH1A1LMNAKMT2AMEN1
SCHEMBL11105521 0.79 NR3C1 (0.53) CYP1A2LMNAKDM4ETSHRHTT

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