SCHEMBL25269817

SCHEMBL25269817

C=C(C)C(O)CCC(C)=CCOc1cc(OC)cc2oc(=O)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NDUFS8 O00217 5/20 0.68
COXFA4 O00483 5/20 0.68
NDUFAB1 O14561 5/20 0.68
NDUFA1 O15239 5/20 0.68
NDUFS4 O43181 5/20 0.68
NDUFB5 O43674 5/20 0.68
NDUFB3 O43676 5/20 0.68
NDUFC1 O43677 5/20 0.68
NDUFA2 O43678 5/20 0.68
NDUFS5 O43920 5/20 0.68
NDUFS7 O75251 5/20 0.68
NDUFS2 O75306 5/20 0.68
NDUFS6 O75380 5/20 0.68
NDUFB1 O75438 5/20 0.68
NDUFS3 O75489 5/20 0.68
NDUFB6 O95139 5/20 0.68
NDUFA3 O95167 5/20 0.68
NDUFB4 O95168 5/20 0.68
NDUFB8 O95169 5/20 0.68
NDUFB2 O95178 5/20 0.68

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
SCHEMBL1714211 0.83 ALOX15 (0.70) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL31135288 0.83 ALOX15 (0.70) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL1714204 0.83 ALOX15 (0.70) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL28772330 0.81 ALDH1A1 (0.64) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL28744737 0.76 ALDH1A1 (0.63) CYP3A4KDM4EALDH1A1GLAHPGD
SCHEMBL31237984 0.74 CYP3A4 (0.68) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL28745065 0.72 MAOB (0.70) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL29227420 0.71 KDM4E (0.66) CYP3A4KDM4EALDH1A1GLAHPGD
Citropten SCHEMBL516577 0.69 ALDH1A1 (1.00) CYP3A4KDM4EALDH1A1GLAHPGD
Citropten SCHEMBL29425178 0.69 ALDH1A1 (1.00) CYP3A4KDM4EALDH1A1GLAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023101420-A1 COMPOSITION FOR PREVENTION OR TREATMENT OF OBESITY, FATTY LIVER, OR STEATOHEPATITIS COMPRISING MOMORDICA CHARANTIA EXTRACT OR HYDROFERULIC ACID DERIVED FROM MOMORDICA CHARANTIA AS ACTIVE INGREDIENT 동아대학교 산학협력단 2023-06-08 WO disclosed