SCHEMBL9680775

SCHEMBL9680775

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PPARG P37231 3/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 3/20 0.40
CYP3A4 P08684 2/20 0.40
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
ESR1 P03372 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL9852426 0.81 PPARG (0.50) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL10903892 0.79 PPARG (0.48) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL7201532 0.72 PPARG (0.37) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL1966607 0.72 TSHR (0.45) TSHRALDH1A1MEN1KMT2ACYP1A2
SCHEMBL10598615 0.71 PPARG (0.39) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL10595485 0.71 PPARG (0.39) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL5828433 0.71 PPARG (0.45) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL11363522 0.71 PPARG (0.45) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL4184936 0.71 PPARG (0.45) TSHRTDP1L3MBTL1PPARGALDH1A1
SCHEMBL9462288 0.71 PPARG (0.45) TSHRTDP1L3MBTL1PPARGALDH1A1

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