SCHEMBL28855009

SCHEMBL28855009

C(=Cc1ccccc1)CCOCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
MGLL Q99685 1/20 0.44
TSHR P16473 1/20 0.43
NAAA Q02083 2/20 0.40
SIGMAR1 Q99720 5/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IDO1 P14902 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38

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
SCHEMBL28078815 0.91 TSHR (0.49) TDP1MGLLTSHRSIGMAR1ALDH1A1
SCHEMBL27827313 0.90 TSHR (0.51) TDP1MGLLTSHRSIGMAR1ALDH1A1
SCHEMBL1704962 0.84 SIGMAR1 (0.52) TDP1MGLLSIGMAR1ALDH1A1IDO1
SCHEMBL1704961 0.84 SIGMAR1 (0.52) TDP1MGLLSIGMAR1ALDH1A1IDO1
SCHEMBL5162421 0.84 TDP1 (0.47) TDP1MGLLTSHRALDH1A1MEN1
Cinnamic Alcohol SCHEMBL7169091 0.81 MGLL (0.47) TDP1MGLLSIGMAR1ALDH1A1MEN1
SCHEMBL7108908 0.79 IDO1 (0.52) NAAASIGMAR1MEN1KMT2AIDO1
SCHEMBL7108904 0.79 IDO1 (0.52) NAAASIGMAR1MEN1KMT2AIDO1
SCHEMBL4478034 0.78 SIGMAR1 (0.45) TDP1MGLLSIGMAR1ALDH1A1MEN1
SCHEMBL4478027 0.78 SIGMAR1 (0.45) TDP1MGLLSIGMAR1ALDH1A1MEN1

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-115176199-A Sealant for liquid crystal dropping process, method for manufacturing liquid crystal display panel, and liquid crystal display panel 三井化学株式会社 2022-10-11 CN disclosed