SCHEMBL3974098

SCHEMBL3974098

COc1ccc(C=O)c(B(O)O)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.47
ALDH1A1 P00352 4/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
SRC P12931 1/20 0.44
TLR2 O60603 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TUBB1 Q9H4B7 3/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 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
SCHEMBL29956443 0.81 ENPP2 (0.45) ERN1ALDH1A1ABCG2CA1CA2
SCHEMBL21979585 0.81 ENPP2 (0.45) ERN1ALDH1A1ABCG2CA1CA2
SCHEMBL269268 0.79 ALDH1A1 (0.56) ERN1ALDH1A1ABCG2SRCTLR2
SCHEMBL31474876 0.79 ALDH1A1 (0.56) ERN1ALDH1A1ABCG2SRCTLR2
SCHEMBL23882160 0.79 ERN1 (0.50) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL31694460 0.79 ERN1 (0.50) ERN1ALDH1A1TLR2TLR1TLR6
SCHEMBL29683824 0.78 ERN1 (0.59) ERN1ALDH1A1ABCG2SRCTLR2
SCHEMBL3658867 0.78 ERN1 (0.59) ERN1ALDH1A1ABCG2SRCTLR2
SCHEMBL1796152 0.77 TUBB4A (0.49) ERN1ALDH1A1ABCG2CA1CA2
SCHEMBL29521638 0.77 ALDH1A1 (0.50) ERN1ALDH1A1ABCG2SRCTLR2

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-2009051417-A2 PHENANTHRENE LACTAM DERIVATIVES HAVING ANTICANCER ACTIVITY AND METHOD FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2009-04-23 WO disclosed