SCHEMBL11680924

SCHEMBL11680924

O=C(O)C(CBr)C(CBr)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
CYP2C19 P33261 1/20 0.39
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
OR51E2 Q9H255 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ABCB11 O95342 1/20 0.32
F2 P00734 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
SCHEMBL28981412 0.84
SCHEMBL11681811 0.84 ALDH1A1 (0.40) ALDH1A1TSHRTDP1THRBRECQL
SCHEMBL4610258 0.82
SCHEMBL15065505 0.80
SCHEMBL3868576 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1THRBRECQL
SCHEMBL1672546 0.74
SCHEMBL348796 0.71
SCHEMBL1405990 0.70 ALDH1A1 (0.39) ALDH1A1TSHRTDP1SLC1A3SLC1A2
SCHEMBL11369383 0.70 ALDH1A1 (0.39) ALDH1A1TSHRTDP1SLC1A3SLC1A2
SCHEMBL606891 0.70 ALDH1A1 (0.39) ALDH1A1TSHRTDP1SLC1A3SLC1A2

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-4013683-A BROMINATION THE DOW CHEMICAL COMPANY (US) 1977-03-22 US disclosed