SCHEMBL8711766

SCHEMBL8711766

C=CC(CCCBr)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDO1 P14902 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
AGXT P21549 1/20 0.32

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
SCHEMBL6811532 0.94 TSHR (0.33) TSHRTDP1SLC1A3SLC1A2SLC1A1
SCHEMBL8709152 0.94 TSHR (0.33) TSHRTDP1SLC1A3SLC1A2SLC1A1
SCHEMBL7763433 0.84 FAAH (0.37) TSHRTDP1SLC1A3SLC1A2SLC1A1
SCHEMBL6120141 0.83 TSHR (0.40) TSHRTDP1SLC1A3SLC1A2SLC1A1
SCHEMBL6675434 0.83 CETP (0.40) BCHE
SCHEMBL11733830 0.83 CETP (0.40) BCHE
SCHEMBL8707834 0.81 TSHR (0.33) TSHRTDP1SLC1A3SLC1A2SLC1A1
SCHEMBL6678199 0.81 CETP (0.42) BCHE
SCHEMBL24529245 0.77 SLC6A2 (0.36) TSHRSLC1A3SLC1A2SLC1A1MEN1
SCHEMBL28886011 0.77 TSHR (0.35) TSHRSLC1A3SLC1A2SLC1A1MEN1

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-5731395-A POLYMER CONTAINING DIVINYLBENZENE AND STYRENE COMPOUND ARAKAWA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-24 US disclosed