SCHEMBL29226552

SCHEMBL29226552

CCC=C(C)C(=O)OOC1CCCO1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL29121745 0.88 KMT2A (0.32) KMT2AALDH1A1MEN1
SCHEMBL1304622 0.79
SCHEMBL29226547 0.76 ALDH1A1 (0.40) KMT2AALDH1A1MEN1TSHRNPC1
SCHEMBL5063609 0.73 MEN1 (0.33) KMT2AMEN1
SCHEMBL7028621 0.71 ALDH1A1 (0.39) KMT2AALDH1A1MEN1
SCHEMBL2576614 0.70 ALDH1A1 (0.34) KMT2AALDH1A1MEN1TSHRNPC1
SCHEMBL9569737 0.70 KMT2A (0.36) KMT2AMEN1TSHR
SCHEMBL5535982 0.69 MEN1 (0.37) KMT2AALDH1A1MEN1
SCHEMBL1270659 0.69 ALDH1A1 (0.44) ALDH1A1TSHRMAPK1TP53
SCHEMBL29226550 0.69 HPGD (0.37) KMT2AALDH1A1MEN1TSHRMAPK1

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-117659380-A Hyperbranched polyethylene glycol derivative and preparation method and application thereof 上海交通大学 2024-03-08 CN disclosed