SCHEMBL7852247

SCHEMBL7852247

C=CCc1c(O)ccc2c1CCC(=O)N2CC=C(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.38
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
PTPN1 P18031 4/20 0.35
HSP90AA1 P07900 1/20 0.33
MGAM O43451 1/20 0.31
DGAT1 O75907 1/20 0.31
PPARG P37231 1/20 0.31
SLC22A12 Q96S37 2/20 0.30
SLC2A9 Q9NRM0 2/20 0.30
XDH P47989 1/20 0.30
MTNR1A P48039 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
SCHEMBL7848198 0.81 PTPN1 (0.38) PTPN1
SCHEMBL7856163 0.81 SRD5A1 (0.38) SRD5A1MAOAPTGS1PTPN1HSP90AA1
SCHEMBL7844518 0.80 ALDH1A1 (0.39) SRD5A1
SCHEMBL7844515 0.80 ALDH1A1 (0.39) SRD5A1
SCHEMBL7856610 0.76 KDM4E (0.38) SRD5A1PTGS1PTPN1
SCHEMBL7854007 0.74 PTPN1 (0.45) SRD5A1PTPN1
SCHEMBL7854015 0.74 PTPN1 (0.45) SRD5A1PTGS1PTPN1
SCHEMBL10747472 0.74 SRD5A1 (0.39) SRD5A1PTGS1PPARGXDHMTNR1A
SCHEMBL7853882 0.72 ALOX5 (0.40) PTGS1PTPN1
SCHEMBL7853322 0.71 PTPN1 (0.33) PTPN1

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-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed