SCHEMBL7168649

SCHEMBL7168649

CC(C)=CCCC(C)=CCCC(C)=CCOc1ccc(CC(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.60
ALOX15 P16050 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
PPARD Q03181 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NDUFS8 O00217 1/20 0.51
COXFA4 O00483 1/20 0.51
NDUFAB1 O14561 1/20 0.51
NDUFA1 O15239 1/20 0.51
NDUFS4 O43181 1/20 0.51
NDUFB5 O43674 1/20 0.51
NDUFB3 O43676 1/20 0.51
NDUFC1 O43677 1/20 0.51
NDUFA2 O43678 1/20 0.51
NDUFS5 O43920 1/20 0.51
NDUFS7 O75251 1/20 0.51
NDUFS2 O75306 1/20 0.51
NDUFS6 O75380 1/20 0.51
NDUFB1 O75438 1/20 0.51
NDUFS3 O75489 1/20 0.51

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
SCHEMBL5088775 0.99 TRPV1 (0.62) TRPV1ALOX15TDP1PPARDKDM4E
SCHEMBL5088772 0.99 TRPV1 (0.62) TRPV1ALOX15TDP1PPARDKDM4E
SCHEMBL2670106 0.88 TRPV1 (0.59) TRPV1ALOX15TDP1KDM4ENDUFS8
SCHEMBL2670101 0.88 TRPV1 (0.59) TRPV1ALOX15TDP1KDM4ENDUFS8
SCHEMBL12039195 0.88 TRPV1 (0.58) TRPV1ALOX15TDP1PPARDKDM4E
SCHEMBL2477691 0.88 TRPV1 (0.58) TRPV1ALOX15TDP1PPARDKDM4E
SCHEMBL24723567 0.87 TRPV1 (0.60) TRPV1ALOX15TDP1PPARDKDM4E
SCHEMBL5092438 0.87 TRPV1 (0.60) TRPV1ALOX15TDP1PPARDKDM4E
SCHEMBL5092441 0.87 TRPV1 (0.60) TRPV1ALOX15TDP1PPARDKDM4E
SCHEMBL31590280 0.86 PPARD (0.61) TRPV1PPARDKDM4ENDUFS8COXFA4

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
US-6566397-B2 Acyclic isoprenoid ether derivatives as chemotherapeutics WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-05-20 US disclosed
US-20020045584-A1 Acyclic isoprenoid ether derivatives as chemotherapeutics WISCONSIN ALUMNI RESEARCH FOUNDATION 2002-04-18 US disclosed