SCHEMBL9630168

SCHEMBL9630168

CC1=C(c2ccc(O)cc2)CCC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP2 O95551 1/20 0.38
▸ MGAT2 Q10469 1/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TNIK Q9UKE5 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ ESR1 P03372 4/20 0.34
▸ ESR2 Q92731 4/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ SENP1 Q9P0U3 2/20 0.34
▸ HSD17B1 P14061 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ QDPR P09417 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
SCHEMBL11008299 0.81 SRD5A1 (0.42) PTGS2SMN1; SMN2PTGS1CRBNALDH1A1
SCHEMBL11084887 0.79 ALDH1A1 (0.46) PTGS2SMN1; SMN2PTGS1CRBNALDH1A1
SCHEMBL11079732 0.79 PDE3B (0.49) CRBN
SCHEMBL9630888 0.78 ALDH1A1 (0.38) PTGS2SMN1; SMN2PTGS1CRBNALDH1A1
SCHEMBL10338409 0.73 KCNH2 (0.55) CHEK1CRBN
SCHEMBL7467815 0.70 KDM4E (0.43) SMN1; SMN2ESR1ESR2ALDH1A1
SCHEMBL10755622 0.70 PDE3B (0.62) ALDH1A1
SCHEMBL7450630 0.70 PDE3B (0.61) TNIKCRBN
SCHEMBL11083179 0.70 CYP11B1 (0.52) PTGS2PTGS1CRBNALDH1A1
SCHEMBL8386107 0.67 PTGS1 (0.50) PTGS2PTGS1ESR1ESR2SENP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109628-A1 2(1H)-pyridinones and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1984-05-30 — — EP claimed
US-4431651-A 2-Pyridinones and their use as cardiotonic agents STERLING DRUG INC. (US) 1984-02-14 — — US claimed
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 — — US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 — — EP disclosed
EP-0109628-A1 2(1H)-pyridinones and preparation, useful as cardiotonics STERLING DRUG INC. (US) 1984-05-30 — — EP disclosed
US-4431651-A 2-Pyridinones and their use as cardiotonic agents STERLING DRUG INC. (US) 1984-02-14 — — US disclosed
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