SCHEMBL28300083

SCHEMBL28300083

C=C(C)C.CCCCCOOC(CCCC)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
S1PR4 O95977 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CES2 O00748 2/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
PAM P19021 2/20 0.32
AKR1B1 P15121 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31
NAAA Q02083 1/20 0.31
PPARG P37231 3/20 0.31
PPARD Q03181 3/20 0.31
PPARA Q07869 3/20 0.31
GPR84 Q9NQS5 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALDH1A1 P00352 1/20 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
SCHEMBL474829 0.83 LPAR3 (0.35) TSHRS1PR4S1PR1S1PR3S1PR5
SCHEMBL2777777 0.81 LPAR3 (0.38) TSHRCES2PAMHCAR2NAAA
SCHEMBL6436228 0.78 ALDH1A1 (0.35) TSHRS1PR4S1PR1S1PR3S1PR5
SCHEMBL6457999 0.78 ALDH1A1 (0.35) TSHRCES2PAMHCAR2PPARG
SCHEMBL321438 0.78 ALDH1A1 (0.35) TSHRS1PR4S1PR1S1PR3S1PR5
SCHEMBL17501909 0.76 LPAR3 (0.41) TSHRCES2HCAR2NAAAPPARG
SCHEMBL27590421 0.76 TSHR (0.40) TSHRHSPD1BLMHSPE1PAM
SCHEMBL8416051 0.75 TDP1 (0.40) TSHRS1PR4S1PR1S1PR3S1PR5
SCHEMBL6286438 0.75 TDP1 (0.40) TSHRS1PR4S1PR1S1PR3S1PR5
SCHEMBL28146042 0.75 TDP1 (0.40) TSHRS1PR4S1PR1S1PR3S1PR5

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-109791357-A Photosensitive resin composition, cured product and image display device 三菱化学株式会社 2019-05-21 CN disclosed