SCHEMBL30459996

SCHEMBL30459996

C=C(CCCCCCCCCCCCCCCC(C)C)C(=O)O.C=CC(=O)OCCCCCCCCCCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HCAR2 Q8TDS4 3/20 0.43
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
FFAR1 O14842 1/20 0.36
NAAA Q02083 1/20 0.36
DGKA P23743 1/20 0.36

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
SCHEMBL29842509 1.00 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31197283 1.00 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL3862720 0.96 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL4250772 0.96 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL30548400 0.95 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL29634466 0.95 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL31037893 0.95 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL30490401 0.95 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL17685751 0.94 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL1535107 0.91 TSHR (0.62) 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-112823171-B Photocurable composition 汉高股份有限及两合公司 2023-06-30 CN disclosed