SCHEMBL28516267

SCHEMBL28516267

C=CCCCCCCCCCC=CC=CCCCCCCCCCCC=C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
MAPT P10636 3/20 0.44
ABCC4 O15439 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TRPA1 O75762 2/20 0.41
LPAR3 Q9UBY5 2/20 0.38
LMNA P02545 2/20 0.38
LPAR2 Q9HBW0 1/20 0.38
USP2 O75604 2/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FASN P49327 1/20 0.37
SLC2A1 P11166 1/20 0.35
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27651164 0.89 TSHR (0.44) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL28589186 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL2559889 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL15912610 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25178036 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25178124 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25185982 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25171237 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL9335044 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL2522761 0.88 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1

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-112334499-A Metallocenes with SI-SI bridge 埃克森美孚化学专利公司 2021-02-05 CN disclosed