SCHEMBL5170282

SCHEMBL5170282

COC(OC)C(=O)C1=CCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
PTPN1 P18031 1/20 0.35
CYP1A2 P05177 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
SCHEMBL3770243 0.79 CYP1A2 (0.35) ALDH1A1PTPN1CYP1A2
SCHEMBL8569125 0.75 PTPN1 (0.41) ALDH1A1PTPN1CYP1A2
SCHEMBL15957919 0.71 PTPN1 (0.52) ALDH1A1PTPN1
SCHEMBL13508754 0.71
SCHEMBL4194302 0.69
SCHEMBL15957896 0.68 PTPN1 (0.39) PTPN1CYP1A2
SCHEMBL4544245 0.67
SCHEMBL5338308 0.67 KMT2A (0.42) ALDH1A1CYP1A2
SCHEMBL6575838 0.64 HDAC4 (0.41) ALDH1A1PTPN1
SCHEMBL4444002 0.63 ALDH1A1 (0.51) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548543-B1 Administering as antiinflammatory agents, fungicides, tumor necrosis factor inhibitors, immunomodulators, heat shock protein inductors, and cellular adhesion controllers TAKARA SHUZO CO., LTD. (JP) 2003-04-15 US claimed
EP-1112742-A1 REMEDIES OR PREVENTIVES CONTAINING CYCLOPENTENONE COMPOUNDS AS THE ACTIVE INGREDIENT Takara Shuzo Co, Ltd. (JP) 2001-07-04 EP claimed
EP-1103255-B1 METHOD OF REARING AND FEEDS TAKARA BIO INC (JP) 2007-05-02 EP disclosed
US-6552001-B1 Method breeding and feeds TAKARA SHUZO CO., LTD. (JP) 2003-04-22 US disclosed
US-6548543-B1 Administering as antiinflammatory agents, fungicides, tumor necrosis factor inhibitors, immunomodulators, heat shock protein inductors, and cellular adhesion controllers TAKARA SHUZO CO., LTD. (JP) 2003-04-15 US disclosed
EP-1106624-B1 5-MEMBERED RING COMPOUNDS TAKARA BIO INC (JP) 2003-04-09 EP disclosed
US-6380262-B1 HAVING CARCINOSTATIC ACTIVITY WHICH IS USEFUL IN A FIELD OF MEDICINE TAKARA SHUZO CO., LTD. (JP) 2002-04-30 US disclosed
EP-1170007-A1 REMEDIES Takara Shuzo Co, Ltd. (JP) 2002-01-09 EP disclosed
EP-1112742-A1 REMEDIES OR PREVENTIVES CONTAINING CYCLOPENTENONE COMPOUNDS AS THE ACTIVE INGREDIENT Takara Shuzo Co, Ltd. (JP) 2001-07-04 EP disclosed
EP-1106624-A1 5-MEMBERED RING COMPOUNDS Takara Shuzo Co, Ltd. (JP) 2001-06-13 EP disclosed
EP-1103255-A1 METHOD OF REARING AND FEEDS Takara Shuzo Co, Ltd. (JP) 2001-05-30 EP disclosed