SCHEMBL6978616

SCHEMBL6978616

O=C(CCCO)OC1CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.43
CAMK2A Q9UQM7 1/20 0.39
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 2/20 0.34
CYP19A1 P11511 3/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PRKCA P17252 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL28196834 0.93 NAAA (0.56) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL11921056 0.91 NAAA (0.65) NAAASMN1; SMN2CAMK2ACYP2C19HTT
SCHEMBL5424914 0.90 NAAA (0.66) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL31069907 0.88 NAAA (0.64) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL15155531 0.88 NAAA (0.59) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL31069918 0.86 NAAA (0.68) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL6979898 0.86
SCHEMBL21218121 0.85 NAAA (0.68) NAAASMN1; SMN2CYP2C19HTTCYP19A1
SCHEMBL3448682 0.84 NAAA (0.55) NAAASMN1; SMN2CYP2C19GAAMAPT
SCHEMBL7867444 0.84 NAAA (0.71) NAAASMN1; SMN2CYP2C19GAAHTT

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