SCHEMBL9861378

SCHEMBL9861378

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

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 13/20 0.60
PRKDC P78527 1/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
TLR6 Q9Y2C9 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9860690 0.86 ERN1 (0.57) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL1646879 0.86 ERN1 (0.64) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL24140773 0.86 ERN1 (0.64) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL16093499 0.84 ERN1 (0.62) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL2743635 0.84 PRKDC (0.58) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL16385983 0.84 ERN1 (0.67) ERN1KDM4EALDH1A1TSHRTDP1
SCHEMBL15534494 0.83 ERN1 (0.73) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL23094539 0.83 ERN1 (0.60) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL11999813 0.83 ERN1 (0.61) ERN1PRKDCKDM4EALDH1A1TSHR
SCHEMBL9016537 0.81 ERN1 (0.58) ERN1PRKDCKDM4EALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101050179-B 2,3,4,5-tetrasubstituted derivatives of benzyl ethylene class, preparation method and application ZHEJIANG HISUN PHARM CO LTD 2011-05-11 CN disclosed
CN-101050179-A 2,3,4,5-tetrasubstituted derivatives of benzyl ethylene class, preparation method and application HAIZHENGTIANHUA NEW MEDICINE R (CN) 2007-10-10 CN disclosed
US-5070103-A ANTILIPEMIC AGENTS, ARTERIOSCLEROSIS TANABE SEIYAKU CO., LTD. (JP) 1991-12-03 US disclosed