SCHEMBL5163415

SCHEMBL5163415

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NDUFS8 O00217 1/20 0.47
COXFA4 O00483 1/20 0.47
NDUFAB1 O14561 1/20 0.47
NDUFA1 O15239 1/20 0.47
NDUFS4 O43181 1/20 0.47
NDUFB5 O43674 1/20 0.47
NDUFB3 O43676 1/20 0.47
NDUFC1 O43677 1/20 0.47
NDUFA2 O43678 1/20 0.47
NDUFS5 O43920 1/20 0.47
NDUFS7 O75251 1/20 0.47
NDUFS2 O75306 1/20 0.47
NDUFS6 O75380 1/20 0.47
NDUFB1 O75438 1/20 0.47
NDUFS3 O75489 1/20 0.47
NDUFB6 O95139 1/20 0.47
NDUFA3 O95167 1/20 0.47
NDUFB4 O95168 1/20 0.47
NDUFB8 O95169 1/20 0.47
NDUFB2 O95178 1/20 0.47

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
SCHEMBL8036010 0.84 KDM4E (0.53) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL11570459 0.81 NDUFS8 (0.46) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL10269260 0.80 MAPT (0.49) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL31590280 0.79 PPARD (0.61) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL4114408 0.79 KDM4E (0.49) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
Etrogol SCHEMBL18265493 0.79 NDUFS8 (0.50) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL17748389 0.78 TRPA1 (0.44) KDM4EALDH1A1HTTMAPTHPGD
SCHEMBL10805062 0.78 NDUFS8 (0.53) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4
SCHEMBL5164271 0.78 KDM4E (0.47) KDM4EALDH1A1MTNR1AMAPTHPGD
SCHEMBL25806392 0.77 TAAR1 (0.52) NDUFS8COXFA4NDUFAB1NDUFA1NDUFS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1768945-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES Riemser Arzneimittel AG (DE) 2007-04-04 EP claimed
WO-2006003010-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2006-01-12 WO claimed
EP-1768945-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES Riemser Arzneimittel AG (DE) 2007-04-04 EP disclosed
WO-2006003010-A1 SUBSTITUTED HYDROXYACETOPHENON DERIVATIVES RIEMSER ARZNEIMITTEL AG (DE) 2006-01-12 WO disclosed