SCHEMBL6976950

SCHEMBL6976950

CC(=O)OCc1cncc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
ATM Q13315 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NAMPT P43490 1/20 0.36
LMNA P02545 1/20 0.35
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
TKT P29401 1/20 0.35
IDH1 O75874 1/20 0.35
POLB P06746 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL2167806 0.84 ALDH1A1 (0.48) ALDH1A1ATMCYP3A4HSD17B10KDM4E
SCHEMBL10175010 0.83 ATM (0.41) ALDH1A1ATMHCAR2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1532536 0.82 ALDH1A1 (0.47) ALDH1A1ATMCYP3A4HSD17B10KDM4E
SCHEMBL6983640 0.82 ALDH1A1 (0.47) ALDH1A1ATMCYP3A4CYP2C9CYP2C19
SCHEMBL6977255 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL6972796 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL2903650 0.81 ALDH1A1 (0.46) ALDH1A1HCAR2CYP3A4CYP2C19HSD17B10
SCHEMBL6976946 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19HSD17B10
SCHEMBL16385951 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10CYP11B1CYP11B2
SCHEMBL5971176 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD17B10KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0985671-B1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARM CO LTD (JP) 2003-04-02 EP disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
US-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US disclosed
CN-1284075-A Novel compounds having CGMP-PDE inhibitory effect MOCHIDA PHARM CO LTD (JP) 2001-02-14 CN disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
EP-0992240-A1 THERAPEUTIC AGENT FOR ERECTION FAILURE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
EP-0985671-A1 PYRIDOCARBAZOLE DERIVATIVES HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
US-6018046-A SELECTIVE ACTION IN INHIBITING CYCLIC GMP-PHOSPHODIESTERASE (CGMP-PDE); PHARMACEUTICALS FOR TREATING DISEASES AGAINST WHICH THE INHIBITORY ACTION IS EFFECTIVE, SUCH AS PULMONARY HYPERTENSION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed