SCHEMBL9680780

SCHEMBL9680780

CCCCOC(=O)C1(Br)C=CC(c2ccccc2)=CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
CHRM2 P08172 6/20 0.38
CHRM4 P08173 6/20 0.38
CHRM5 P08912 6/20 0.38
CHRM1 P11229 6/20 0.38
CHRM3 P20309 6/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 2/20 0.37
MAPK1 P28482 2/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL27641916 0.81 SMN1; SMN2 (0.35) L3MBTL1
SCHEMBL27656088 0.81 MEN1 (0.40) TSHRL3MBTL1POLBKDM4EALDH1A1
SCHEMBL9852431 0.80 TSHR (0.43) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL10903896 0.78 CNR2 (0.42) TSHRCHRM2CHRM4CHRM5CHRM1
SCHEMBL8486887 0.76 MAPT (0.33) MEN1KMT2A
SCHEMBL27467887 0.76 USP2 (0.35) TDP1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28444641 0.76 RARA (0.31) TDP1
SCHEMBL8502416 0.75 FFAR1 (0.37) TDP1POLBKDM4EALDH1A1GAA
SCHEMBL9679777 0.74 POLB (0.39) TDP1L3MBTL1POLBKDM4EALDH1A1
SCHEMBL28472097 0.74 NR5A1 (0.37) TSHRTDP1L3MBTL1CHRM2CHRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5136013-A Polyesters BAYER AKTIENGESELLSCHAFT (DE) 1992-08-04 US disclosed
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed