SCHEMBL13814732

SCHEMBL13814732

CCCCCCCCCCCCCCCCCCCCOc1ccc(NC(C)=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
PLK1 P53350 3/20 0.51
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
FAAH O00519 7/20 0.48
SMPD1 P17405 2/20 0.48

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
SCHEMBL7789182 0.86 LMNA (0.50) PLK1TP53TSHRFAAHSMPD1
SCHEMBL9817114 0.86 NR5A1 (0.54) PLK1TP53TSHR
SCHEMBL16756051 0.85 MAPT (0.53) THRATHRBPLK1TP53TSHR
SCHEMBL9417637 0.85 S1PR4 (0.49) PLK1TP53TSHRFAAHSMPD1
SCHEMBL10889926 0.84 KMT2A (0.58)
SCHEMBL11582978 0.83 EPHX1 (0.52) TP53TSHRFAAHSMPD1
SCHEMBL8484560 0.83 EPHX1 (0.52) TP53TSHRFAAHSMPD1
SCHEMBL10360430 0.83 ALDH1A1 (0.46) TSHR
SCHEMBL8179257 0.81 PLK1 (0.64) PLK1TP53TSHR
SCHEMBL16742373 0.81 MAPT (0.60)

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-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed