SCHEMBL10566701

SCHEMBL10566701

COc1ccc(-c2cc(=O)n(C)c(=O)n2CC2CO2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HK1 P19367 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ PDE4B Q07343 9/20 0.37
▸ PDE4A P27815 6/20 0.37
▸ PDE4C Q08493 6/20 0.37
▸ PDE4D Q08499 6/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ TP53 P04637 1/20 0.36
▸ HBB P68871 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10565552 0.82 ALDH1A1 (0.44) HSD17B10TSHRL3MBTL1ALDH1A1HTT
SCHEMBL10564675 0.81 PDE4B (0.45) TSHRL3MBTL1ALDH1A1HTTCYP19A1
SCHEMBL10567284 0.78 MAPT (0.48) HSD17B10TSHRL3MBTL1ALDH1A1HTT
SCHEMBL10568294 0.78 TSHR (0.50) TSHRL3MBTL1ALDH1A1HTTCYP19A1
SCHEMBL10567745 0.77 CYP3A4 (0.53) ALDH1A1PDE4BPDE4APDE4CPDE4D
SCHEMBL10566832 0.71 KDM4E (0.46) HSD17B10ALDH1A1CYP19A1PDE4BPDE4A
SCHEMBL10566400 0.70 ALDH1A1 (0.39) HSD17B10TSHRL3MBTL1ALDH1A1HTT
SCHEMBL10565453 0.70 KDM4E (0.48) HSD17B10ALDH1A1PDE4BPDE4APDE4C
SCHEMBL10569672 0.69 PDE4B (0.43) HSD17B10ALDH1A1PDE4BPDE4APDE4C
SCHEMBL10567500 0.68 PKM (0.39) HK1HKDC1HSD17B10TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824851-A Pyrimidones as cardiotonic, anti hypertensive, cerebrovascular vasodilator and anti-platelet agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-25 — — US disclosed
EP-0123402-B1 PYRIMIDINE DERIVATIVES, PREPARATION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-09-07 — — EP disclosed
US-4746664-A Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidones useful as cardiotonic, antihypertensive, cerebrovascular vasodilator and anti-platelet agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-24 — — US disclosed
US-4612376-A Substituted-3,4-dihydro-4-(2,4,6-trimethoxyphenylimino)-2(1H)-pyrimidones useful as cardiotonic, antihypertensive, cerebrovascular vasodilator and anti-platelet agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-09-16 — — US disclosed
EP-0123402-A2 Pyrimidine derivatives, preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 — — EP disclosed
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