SCHEMBL28020131

SCHEMBL28020131

COc1cc(C=O)c(OC)c(O)c1O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.62
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
PRKDC P78527 1/20 0.48

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
SCHEMBL16093499 0.89 ERN1 (0.62) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL16093496 0.89 ERN1 (0.62) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL16385983 0.85 ERN1 (0.67) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL17517843 0.81 ERN1 (0.50) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL7004928 0.81 ERN1 (0.67) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL9861378 0.80 ERN1 (0.60) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL27799683 0.80 ERN1 (0.53) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL24140773 0.79 ERN1 (0.64) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL24141245 0.79 ERN1 (0.56) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL5144957 0.78 ERN1 (0.59) ERN1KDM4EALDH1A1TSHRTDP1

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
CN-104830528-A Preparation method and use method of aquilaria wood perfume DONGGUAN BOTON FLAVORS & FRAGRANCES CO LTD 2015-08-12 CN disclosed