SCHEMBL17898115

SCHEMBL17898115

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOc1ccc2oc(=O)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 9/20 1.00
TDP1 Q9NUW8 3/20 0.85
KDM4E B2RXH2 3/20 0.83
NDUFS8 O00217 2/20 0.83
COXFA4 O00483 2/20 0.83
NDUFAB1 O14561 2/20 0.83
NDUFA1 O15239 2/20 0.83
NDUFS4 O43181 2/20 0.83
NDUFB5 O43674 2/20 0.83
NDUFB3 O43676 2/20 0.83
NDUFC1 O43677 2/20 0.83
NDUFA2 O43678 2/20 0.83
NDUFS5 O43920 2/20 0.83
NDUFS7 O75251 2/20 0.83
NDUFS2 O75306 2/20 0.83
NDUFS6 O75380 2/20 0.83
NDUFB1 O75438 2/20 0.83
NDUFS3 O75489 2/20 0.83
NDUFB6 O95139 2/20 0.83
NDUFA3 O95167 2/20 0.83

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
SCHEMBL17898119 1.00 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL17898117 1.00 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL17898114 1.00 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL17898118 0.99 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
SCHEMBL17898120 0.99 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
Umbelliprenin SCHEMBL26641528 0.92 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
Umbelliprenin SCHEMBL28133292 0.92 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
Umbelliprenin SCHEMBL18265478 0.92 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
Auraptene SCHEMBL2535029 0.91 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4
Auraptene SCHEMBL2535034 0.91 ALOX15 (1.00) ALOX15TDP1KDM4ENDUFS8COXFA4

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-9403791-B1 Coumarin derivatives for cancer therapy WELLESLEY COLLEGE (US) 2016-08-02 US disclosed
US-9388155-B1 Coumarin derivatives for cancer therapy WELLESLEY COLLEGE (US) 2016-07-12 US disclosed