SCHEMBL11513291

SCHEMBL11513291

BrC(OOC(Br)c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
TRPA1 O75762 1/20 0.44
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 2/20 0.38
HTR2A P28223 1/20 0.38
CYP2D6 P10635 1/20 0.36
SRC P12931 1/20 0.36
LMNA P02545 2/20 0.35
HRH1 P35367 1/20 0.35
MTOR P42345 1/20 0.35
RAB9A P51151 1/20 0.35
GRM7 Q14831 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL8362086 0.82 CES2 (0.44) CES2CES1TRPA1DPP4F2
SCHEMBL2220602 0.78 KMT2A (0.41) CES2CES1TRPA1DPP4F2
SCHEMBL8923611 0.78 CES2 (0.41) CES2CES1TRPA1DPP4F2
Hydrochloric Acid SCHEMBL11777006 0.76 KMT2A (0.40) CES2CES1TRPA1DPP4F2
SCHEMBL3485914 0.76 SLC6A4 (0.41) CES2CES1TRPA1DPP4F2
SCHEMBL7957999 0.74 CES2 (0.39) CES2CES1TRPA1TSHRCYP2D6
SCHEMBL3925766 0.74 CES2 (0.38) CES2CES1TRPA1DPP4F2
SCHEMBL6930765 0.74 KMT2A (0.39) CES2CES1TRPA1DPP4F2
SCHEMBL2859747 0.72 CES2 (0.41) CES2CES1TRPA1DPP4F2
SCHEMBL7563457 0.72 L3MBTL1 (0.42) CES2CES1TRPA1TSHRTAAR1

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
US-4155901-A COPOLYMERIZATION OF ACRYLONITRILE AND SYTRENE IN PRESENCE OF DIENE ELASTOMER SUBSTRATE, CONTROLLED CONTINUOUS ADDITION OF MONOMERS THE STANDARD OIL COMPANY (US) 1979-05-22 US disclosed