SCHEMBL28865010

SCHEMBL28865010

CCCCCOC(=O)C(C)=CCC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
NAAA Q02083 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
EPHX1 P07099 1/20 0.38
FAAH O00519 2/20 0.37
ATM Q13315 1/20 0.37
CES2 O00748 1/20 0.35

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
SCHEMBL28865014 0.95 ALDH1A1 (0.44) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL2985786 0.87 TSHR (0.50) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL20183940 0.82 ALDH1A1 (0.47) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL7854621 0.81 TSHR (0.47) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL4942781 0.81 TSHR (0.47) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL10620372 0.80 TSHR (0.56) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL375532 0.80 TSHR (0.56) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL16826968 0.79 ALDH1A1 (0.44) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL16826969 0.79 ALDH1A1 (0.44) TSHRNAAAHCAR2ALDH1A1LMNA
SCHEMBL374916 0.78 TSHR (0.59) TSHRNAAAHCAR2ALDH1A1LMNA

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-111983745-B Optical film, polarizing plate and liquid crystal display device 柯尼卡美能达株式会社 2022-10-21 CN disclosed