SCHEMBL11045142

SCHEMBL11045142

CCCCCCCCCCCCCC(Br)Oc1ccc(C(=O)CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STS P08842 4/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
THRA P10827 3/20 0.43
THRB P10828 3/20 0.43
PLA2G4B P0C869 1/20 0.42
ABCB1 P08183 1/20 0.42
HSD17B3 P37058 5/20 0.42
KMT2A Q03164 1/20 0.42
RARB P10826 1/20 0.40

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
SCHEMBL6251009 0.87 TP53 (0.59) TP53TSHRPLA2G4BKMT2ARARB
SCHEMBL27470965 0.84 MGLL (0.54) STSTP53TSHRPLA2G4BKMT2A
SCHEMBL6552100 0.84 MGLL (0.54) STSTP53TSHRPLA2G4BKMT2A
SCHEMBL5193557 0.79 GSK3B (0.50) KMT2A
SCHEMBL5196319 0.79 GSK3B (0.50) KMT2A
SCHEMBL5194375 0.79 GSK3B (0.50) KMT2A
SCHEMBL5196872 0.79 GSK3B (0.50) KMT2A
SCHEMBL11096221 0.77 PPARA (0.46)
SCHEMBL5196251 0.77 GSK3B (0.51) KMT2A
SCHEMBL4748979 0.77 LTA4H (0.43)

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-4436810-A Color-photographic recording material containing non-diffusing electron donor precursor compounds AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-03-13 US disclosed