SCHEMBL31037893

SCHEMBL31037893

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 1/20 0.45
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4C Q9H3R0 2/20 0.35
KDM4A O75164 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
THRB P10828 2/20 0.33
ESR1 P03372 1/20 0.33
RARB P10826 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL29634466 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30548400 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30490401 1.00 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL29842509 0.95 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL31197283 0.95 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL30459996 0.95 TSHR (0.51) TSHRALDH1A1CYP3A4HPGDHCAR2
SCHEMBL3862720 0.93 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL4250772 0.93 TSHR (0.56) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL30579001 0.92 TSHR (0.47) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL17685751 0.89 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53

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-118574865-A Composition for organic light emitting element encapsulation and organic light emitting display device comprising same 索路思高新材料有限公司 2024-08-30 CN disclosed