SCHEMBL29080269

SCHEMBL29080269

CC(CO)(CO)CO.CCc1cc(C)c(CC)c(C=O)c1C=O

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ AOX1 Q06278 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
SCHEMBL30600430 0.87 SMN1; SMN2 (0.34) SMN1; SMN2USP2CYP3A4KDM4EMEN1
SCHEMBL26908576 0.79 KDM4E (0.30) SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29080241 0.72 ALDH1A1 (0.33) USP2CYP3A4KDM4EMEN1ALDH1A1
SCHEMBL26908592 0.70 ERN1 (0.32) —
SCHEMBL26908544 0.70 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1LMNA
SCHEMBL29080259 0.69 ERN1 (0.39) SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL26908608 0.69 ALDH1A1 (0.42) SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL3269286 0.69 PGK1 (0.35) SMN1; SMN2USP2CYP3A4MEN1ALDH1A1
SCHEMBL29080243 0.68 ERN1 (0.44) SMN1; SMN2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL26908518 0.68 AKR1B1 (0.36) USP2CYP3A4KDM4EMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 — — CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 — — CN disclosed
Send feedback