SCHEMBL7899335

SCHEMBL7899335

CC(C)=CCCC(C)CCCC(C)=COC(=O)CCC(=O)OC=C(C)CCCC(C)CCC=C(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.49
ALDH1A1 P00352 2/20 0.45
PTPN1 P18031 3/20 0.43
USP2 O75604 1/20 0.42
EPHX2 P34913 1/20 0.37
KDM1A O60341 1/20 0.36
TSHR P16473 1/20 0.35
NFE2L2 Q16236 1/20 0.34
PTPN2 P17706 1/20 0.34
CDC25B P30305 1/20 0.34

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
SCHEMBL7899333 1.00 ALOX15 (0.49) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL6569562 0.92 ALOX15 (0.56) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL6569564 0.92 ALOX15 (0.56) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL6567574 0.90 ALOX15 (0.54) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL6567580 0.90 ALOX15 (0.54) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL6568241 0.83 ALOX15 (0.46) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL6568238 0.83 ALOX15 (0.46) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL7609196 0.81 ALOX15 (0.49) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL7609192 0.81 ALOX15 (0.49) ALOX15ALDH1A1PTPN1USP2EPHX2
SCHEMBL7907074 0.79 KDM4E (0.52) ALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US claimed
US-6207857-B1 FOR ORGANOLEPTIC AND ANTIMICROBIAL COMPOUNDS GENERATED IN THE PRESENCE OF SKIN BACTERIA, ENZYMES OR ACIDIC OR ALKALINE CONDITIONS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2001-03-27 US disclosed
EP-0887336-A1 Precursor Compounds GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1998-12-30 EP disclosed