SCHEMBL10703243

SCHEMBL10703243

CC(C)=CCCC(C)=CCOc1cc(=O)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 11/20 1.00
NDUFS8 O00217 2/20 0.60
COXFA4 O00483 2/20 0.60
NDUFAB1 O14561 2/20 0.60
NDUFA1 O15239 2/20 0.60
NDUFS4 O43181 2/20 0.60
NDUFB5 O43674 2/20 0.60
NDUFB3 O43676 2/20 0.60
NDUFC1 O43677 2/20 0.60
NDUFA2 O43678 2/20 0.60
NDUFS5 O43920 2/20 0.60
NDUFS7 O75251 2/20 0.60
NDUFS2 O75306 2/20 0.60
NDUFS6 O75380 2/20 0.60
NDUFB1 O75438 2/20 0.60
NDUFS3 O75489 2/20 0.60
NDUFB6 O95139 2/20 0.60
NDUFA3 O95167 2/20 0.60
NDUFB4 O95168 2/20 0.60
NDUFB8 O95169 2/20 0.60

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
SCHEMBL10703236 1.00 ALOX15 (1.00) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL1714204 0.80 ALOX15 (0.70) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL1714211 0.80 ALOX15 (0.70) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL31135288 0.80 ALOX15 (0.70) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL8871233 0.76 ALOX15 (0.60) ALOX15CA12CA1CA9ALDH1A1
SCHEMBL14883407 0.76 ALOX15 (0.64) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL24183222 0.75 ALOX15 (0.61) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL22922167 0.75 NDUFS8 (1.00) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL14876469 0.75 ALOX15 (0.71) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1
SCHEMBL14876468 0.75 ALOX15 (0.71) ALOX15NDUFS8COXFA4NDUFAB1NDUFA1

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
JP-63104973-A None JP disclosed
JP-S63104973-A COUMARIN DERIVATIVE OTSUKA PHARMACEUT CO LTD 1988-05-10 JP disclosed