SCHEMBL6971769

SCHEMBL6971769

CC(=O)OCc1cccc(C[O])n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KCNH2 Q12809 2/20 0.39
CYP3A4 P08684 1/20 0.38
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
LMNA P02545 2/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
ELANE P08246 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL13211474 0.86 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL6984472 0.86 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL6974344 0.84 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL1558091 0.82 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL16415765 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL9303916 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL2825978 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL6973532 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL946915 0.81 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL2660453 0.78 ALDH1A1 (0.43) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E

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
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
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