SCHEMBL25171237

SCHEMBL25171237

C=CC=CCCCCCC=C

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
LPAR3 Q9UBY5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 3/20 0.38
LMNA P02545 3/20 0.35
USP2 O75604 3/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL15912610 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL9335044 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL2559889 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL28589186 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL25185982 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL2522761 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL25178124 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL25178036 1.00 TSHR (0.48) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL1288145 0.97 TSHR (0.43) TSHRMAPTABCC4LPAR3LPAR2
SCHEMBL6142411 0.97 TSHR (0.43) TSHRMAPTABCC4LPAR3LPAR2

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
WO-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed