SCHEMBL6174531

SCHEMBL6174531

CCC(C1=C(O)CC2(CCC(=O)CC2)OC1=NO)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.44
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 2/20 0.30
GAA P10253 1/20 0.30
HTT P42858 1/20 0.30
TSHR P16473 2/20 0.30
TAAR1 Q96RJ0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6175954 0.87 HSD11B1 (0.48) HSD11B1CYP2C9ALDH1A1TSHRL3MBTL1
SCHEMBL6174534 0.77 CYP2C9 (0.39) HSD11B1CYP2C9ALDH1A1TSHRL3MBTL1
SCHEMBL6176108 0.76 CYP2C9 (0.38) HSD11B1CYP2C9ALDH1A1HTTTSHR
SCHEMBL6173671 0.74 HSD11B1 (0.52) HSD11B1CYP2C9
SCHEMBL6175182 0.73 ALDH1A1 (0.46) HSD11B1CYP2C9ALDH1A1GAAHTT
SCHEMBL6175910 0.70 HSD11B1 (0.44) HSD11B1CYP2C9
SCHEMBL6174556 0.67 OPRD1 (0.44) CYP2C9
SCHEMBL6175172 0.64 LDHA (0.38) HSD11B1CYP2C9ALDH1A1
SCHEMBL7489755 0.64 CYP2C9 (0.42) HSD11B1CYP2C9ALDH1A1TSHRL3MBTL1
SCHEMBL6174510 0.63 OPRD1 (0.58) CYP2C9GAATSHRTAAR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203770-B1 Pyran-2-ones and 5,6-dihydropyran-2-ones useful for treating hyperplasia and other diseases UPJOHN CO (US) 2005-03-09 EP claimed
EP-0668860-B1 PYRAN-2-ONES AND 5,6-DIHYDROPYRAN-2-ONES USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES UPJOHN CO (US) 2002-09-11 EP claimed