SCHEMBL9497680

SCHEMBL9497680

COC(=O)CCCCCCC1C(=O)C=CC1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.46
PPARG P37231 4/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
DNTT P04053 1/20 0.43
TSHR P16473 2/20 0.41
TRPA1 O75762 2/20 0.40
NR4A2 P43354 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
PTGER4 P35408 1/20 0.40
PTGER3 P43115 1/20 0.40
PGR P06401 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
TDP1 Q9NUW8 3/20 0.39
KAT2B Q92831 1/20 0.38

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
SCHEMBL9495622 0.98 PTGER2 (0.44) PTGER2PPARGPPARDPPARADNTT
SCHEMBL9499124 0.85 ALDH1A1 (0.50) PPARGPPARDPPARADNTTTSHR
SCHEMBL10973865 0.83 PPARG (0.59) PTGER2PPARGPPARDPPARATSHR
SCHEMBL9182999 0.79 GABRP (0.34) PTGER2PPARGPPARDPPARADNTT
SCHEMBL11613380 0.79 TRPA1 (0.49) PTGER2PPARGPPARDPPARADNTT
SCHEMBL10617209 0.77 PPARG (0.40) PPARGPPARDPPARADNTTTRPA1
SCHEMBL10629076 0.77 PPARG (0.52) PPARGPPARDPPARADNTTTRPA1
SCHEMBL10385891 0.77 PPARG (0.52) PPARGPPARDPPARADNTTTRPA1
SCHEMBL11866493 0.76 DNTT (0.50) PTGER2PPARGPPARDPPARADNTT
SCHEMBL11866489 0.76 DNTT (0.50) PTGER2PPARGPPARDPPARADNTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115010603-A Synthesis method of misoprostol intermediate 深圳万乐药业有限公司 2022-09-06 CN claimed
JP-1108989-A None JP disclosed
JP-62281844-A None JP disclosed
CN-115010603-A Synthesis method of misoprostol intermediate 深圳万乐药业有限公司 2022-09-06 CN disclosed
EP-0247620-B1 PRODUCTION OF CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 EP disclosed
US-4957867-A Production of cyclopentenones by enzyme resolution SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-18 US disclosed
JP-H01108989-A PRODUCTION OF OPTICALLY ACTIVE CYCLOPENTENONES SUMITOMO CHEM CO LTD 1989-04-26 JP disclosed
JP-S62281844-A OPTICALLY ACTIVE 4-HYDROXY-2-CYCLOPENTENONE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1987-12-07 JP disclosed
EP-0247620-A2 Production of cyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-02 EP disclosed