SCHEMBL31348987

SCHEMBL31348987

C=CC(=O)OCCCCCCCCCCCC(O)CCCCCC

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.66
HPGD P15428 1/20 0.66
ALDH1A1 P00352 2/20 0.61
CYP3A4 P08684 1/20 0.61
HCAR2 Q8TDS4 2/20 0.50
FFAR4 Q5NUL3 1/20 0.49
FFAR1 O14842 1/20 0.49
GPR84 Q9NQS5 5/20 0.46
ATM Q13315 1/20 0.46
NAAA Q02083 1/20 0.44
NFKB1 P19838 1/20 0.44
TP53 P04637 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL23581478 0.97 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21694381 0.97 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21694377 0.97 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL23581501 0.97 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21694364 0.97 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL23581497 0.95 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21694367 0.94 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL14776468 0.94 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL21694379 0.94 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL8470093 0.94 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2

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-119060236-A Carbomer resin and preparation method thereof 中国天辰工程有限公司 2024-12-03 CN claimed