SCHEMBL6977255

SCHEMBL6977255

CC(=O)OCc1cncc(C[O])c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.45
IDH1 O75874 1/20 0.35
CA2 P00918 1/20 0.35
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TOP2A P11388 1/20 0.32
TOP2B Q02880 1/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
NOTUM Q6P988 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL6983640 0.86 ALDH1A1 (0.47) ALDH1A1CYP3A4IDH1CA2CYP2C19
SCHEMBL6972796 0.84 ALDH1A1 (0.46) ALDH1A1CYP3A4IDH1CA2CYP2C19
SCHEMBL2167806 0.84 ALDH1A1 (0.48) ALDH1A1CYP3A4IDH1CA2HSD17B10
Hydrochloric Acid SCHEMBL1532536 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4IDH1CA2HSD17B10
SCHEMBL6976950 0.82 ALDH1A1 (0.47) ALDH1A1CYP3A4IDH1CYP2C19HSD17B10
SCHEMBL2903650 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4IDH1CYP2C19HSD17B10
SCHEMBL6976946 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4IDH1CA2CYP2C19
SCHEMBL16385951 0.79 ALDH1A1 (0.44) ALDH1A1CYP3A4HSD17B10MEN1HTT
SCHEMBL5666942 0.78 ALDH1A1 (0.64) ALDH1A1CYP3A4IDH1CA2CYP2C19
SCHEMBL13542845 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4IDH1CA2CYP2C19

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