SCHEMBL8765726

SCHEMBL8765726

Cc1ccc(O)c(OCCCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 6/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 9/20 0.42
MAPT P10636 8/20 0.42
HPGD P15428 6/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP2C9 P11712 4/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
TRPA1 O75762 1/20 0.42
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TTR P02766 1/20 0.41
CYP2C8 P10632 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA1A P35348 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL7773706 0.84 ESR1 (0.51) TSHRTDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL31267422 0.83 TRPA1 (0.46) TSHRTDP1ALDH1A1KDM4EMAPT
SCHEMBL7952196 0.82 TSHR (0.46) TSHRTDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL10151472 0.81 ALDH1A1 (0.46) TSHRTDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL5223212 0.81 TSHR (0.62) TSHRTDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL9697391 0.81 SMPD1 (0.58) TSHRALDH1A1MAPTL3MBTL4L3MBTL3
SCHEMBL9697453 0.81 SMPD1 (0.58) TSHRALDH1A1MAPTL3MBTL4L3MBTL3
SCHEMBL8765719 0.79 TSHR (0.46) TSHRTDP1ALDH1A1KDM4EL3MBTL1
SCHEMBL3814694 0.79 ACHE (0.59) TDP1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL2002013 0.79 L3MBTL1 (0.65) TDP1ALDH1A1KDM4EL3MBTL1MAPT

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
EP-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed