SCHEMBL3486950

SCHEMBL3486950

C=CCc1c(OC)cc(OC)c2c1OCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 1.00
CYP3A4 P08684 4/20 0.68
ALOX15 P16050 2/20 0.68
ALDH1A1 P00352 6/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX5 P09917 1/20 0.37
AR P10275 1/20 0.37
PTGS1 P23219 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
P2RX7 Q99572 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
Apiol SCHEMBL29410305 0.81 CYP3A4 (1.00) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
Apiol SCHEMBL497412 0.81 CYP3A4 (1.00) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL2424490 0.80 POLB (1.00) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
Elemicin SCHEMBL10728512 0.75 CYP3A4 (1.00) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
Elemicin SCHEMBL68041 0.75 CYP3A4 (1.00) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
Elemicin SCHEMBL30363316 0.75 CYP3A4 (1.00) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
Elemicin SCHEMBL28810327 0.74 CYP3A4 (0.97) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
Elemicin SCHEMBL28330527 0.74 CYP3A4 (0.97) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL3931943 0.73 CYP3A4 (0.80) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2
SCHEMBL10539412 0.72 CYP3A4 (0.64) POLBCYP3A4ALOX15ALDH1A1SMN1; SMN2

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 7 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-20100048682-A1 INHIBITING DNA POLYMERASE BETA TO ENHANCE EFFICACY OF ANTICANCER AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2010-02-25 US disclosed
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