SCHEMBL6984472

SCHEMBL6984472

CC(=O)OCc1cccc(CO)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ELANE P08246 1/20 0.36
ADORA2A P29274 1/20 0.36
PGK1 P00558 1/20 0.36
PGK2 P07205 1/20 0.36
PKM P14618 1/20 0.35
CCR1 P32246 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 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
SCHEMBL2662610 0.90 ALDH1A1 (0.42) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL6971769 0.86 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL13211474 0.86 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL6974344 0.84 ALDH1A1 (0.46) ALDH1A1NPSR1CYP1A2CYP2C19KCNH2
SCHEMBL9644596 0.82 HRH4 (0.39) NPSR1CYP1A2KCNH2ADORA2APGK1
SCHEMBL6856814 0.82 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2KCNH2ADORA2A
SCHEMBL31098538 0.82 HRH4 (0.39) NPSR1CYP1A2KCNH2ADORA2APGK1
SCHEMBL1558091 0.82 ALDH1A1 (0.47) ALDH1A1NPSR1CYP1A2CYP2C19KDM4E
SCHEMBL23355545 0.81 TOP2A (0.42) ALDH1A1NPSR1KCNH2KDM4EHSD17B10
SCHEMBL9303916 0.81 ALDH1A1 (0.46) 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 4 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-6197768-B1 THERAPY, PREVENTION ISCHEMIC HEART DISEASE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-03-06 US 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