SCHEMBL28837643

SCHEMBL28837643

C=C(C)C(=O)OCCCC(CCCC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
FOLH1 Q04609 11/20 0.42
THRB P10828 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL610793 0.94 TSHR (0.44) TSHRFOLH1THRBTDP1POLB
SCHEMBL610577 0.86 TSHR (0.49) TSHRFOLH1THRBTDP1POLB
SCHEMBL8995164 0.84 FOLH1 (0.47) TSHRFOLH1THRB
SCHEMBL75261 0.83 TSHR (0.60) TSHRTHRBTDP1POLBAPEX1
SCHEMBL4908128 0.82 TSHR (0.41) TSHRFOLH1THRBTDP1POLB
SCHEMBL18492409 0.81 THRB (0.50) TSHRFOLH1THRBTDP1POLB
SCHEMBL883316 0.81 TSHR (0.63) TSHRTHRBTDP1POLBAPEX1
SCHEMBL29011785 0.81 TSHR (0.58) TSHRTHRBTDP1POLBAPEX1
SCHEMBL611704 0.81 TSHR (0.51) TSHRFOLH1THRBTDP1POLB
SCHEMBL15475266 0.80 TSHR (0.46) TSHRFOLH1

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
CN-106200265-A Photosensitive resin composition, color filter and preparation method thereof, and liquid crystal display device 奇美实业股份有限公司 2016-12-07 CN disclosed