SCHEMBL4273283

SCHEMBL4273283

Oc1cc(O)cc(CCCCCC/C=C\CCCCCCc2cc(O)cc(O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CBS P35520 1/20 0.96
PTGS2 P35354 4/20 0.61
CYP3A4 P08684 1/20 0.57
LTA4H P09960 1/20 0.45
ACHE P22303 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL3486974 0.98 CBS (1.00) CBSPTGS2CYP3A4LTA4HACHE
SCHEMBL31545757 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31546072 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31545858 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL164545 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL9472976 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL15151838 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31544875 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31545471 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE
SCHEMBL31545744 0.91 CBS (0.79) CBSPTGS2CYP3A4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081119-A1 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-03-26 US claimed
WO-2007001684-A9 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIV PITTSBURGH (US) 2007-04-19 WO claimed
WO-2007001684-A2 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-04 WO claimed
US-20090081119-A1 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-03-26 US disclosed
WO-2007001684-A9 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIV PITTSBURGH (US) 2007-04-19 WO disclosed
WO-2007001684-A2 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2007-01-04 WO disclosed