SCHEMBL5009486

SCHEMBL5009486

CCOC(=O)C=C1OC(=O)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPK1 P28482 2/20 0.56
TSHR P16473 2/20 0.56
TRPA1 O75762 1/20 0.53
KMT2A Q03164 3/20 0.51
GLA P06280 1/20 0.51
KDM4E B2RXH2 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 2/20 0.48
HPGD P15428 3/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL9234683 1.00 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL13775156 1.00 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL23966494 0.84 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL9674944 0.82 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL9674953 0.82 ALDH1A1 (0.38) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL23966516 0.82 ALDH1A1 (0.41) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL23914731 0.81 ALDH1A1 (0.55) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL10444039 0.81 HCAR2 (0.51) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL10444040 0.81 HCAR2 (0.51) ALDH1A1MAPK1TSHRTRPA1KMT2A
SCHEMBL8767801 0.81 NPSR1 (0.48) ALDH1A1MAPK1TSHRTRPA1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7173145-A None JP disclosed
WO-2008093920-A2 1,2-DIHYDRO-1-OXOPHTHALAZINYL DERIVATIVES HAVING BIOLOGICAL ACTIVITY ON SEROTONIN RECEPTORS 5-HT2A AND 5-HT2C, AND PREPARATION THEREOF DONGBU HITEK CO., LTD. (KR) 2008-08-07 WO disclosed
JP-H07173145-A PRODUCTION OF 3-PHTHALIDYLIDENEACETIC ACID ALKYL ESTER SUMIKA FINE CHEM KK 1995-07-11 JP disclosed
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