SCHEMBL3413684

SCHEMBL3413684

C=C(C)C(=O)OC(Br)CCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TSHR P16473 6/20 0.40
THRB P10828 1/20 0.37
FAAH O00519 1/20 0.34
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31

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
SCHEMBL6473936 0.87 TSHR (0.49) ALDH1A1TSHRFAAHZDHHC7LCK
SCHEMBL22159388 0.85 TSHR (0.51) TSHRFAAHZDHHC7LCKPPARD
SCHEMBL11291243 0.85 TSHR (0.51) TSHRFAAHZDHHC7LCKPPARD
SCHEMBL3413032 0.83 TSHR (0.42) ALDH1A1TSHRTHRB
SCHEMBL865474 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTHRBFAAHCHRM1
SCHEMBL11863394 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTHRBCHRM1AKR1A1
SCHEMBL142824 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTHRBCHRM1AKR1A1
SCHEMBL11327941 0.79
SCHEMBL6152756 0.79
SCHEMBL10633875 0.78 TSHR (0.41) ALDH1A1TSHRTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233620-A1 Copolymer and photoresist composition including the same CHEIL INDUSTRIES, INC. (KR) 2010-09-16 US disclosed
WO-2009069848-A1 NOVEL COPOLYMERS AND PHOTORESIST COMPOSITION INCLUDING THE SAME CHEIL INDUSTRIES INC. (KR) 2009-06-04 WO disclosed