SCHEMBL29328923

SCHEMBL29328923

O=C1CCC(O)C12CCCC2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CYP19A1 P11511 9/20 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
SCHEMBL9052184 0.84 MEN1 (0.32) MEN1ALDH1A1CYP3A4KMT2ACYP19A1
SCHEMBL9053292 0.84 MEN1 (0.32) MEN1ALDH1A1CYP3A4KMT2ACYP19A1
SCHEMBL5789683 0.73 CYP19A1 (0.30) CYP19A1
SCHEMBL25650007 0.71
SCHEMBL660760 0.67
SCHEMBL20034242 0.67
SCHEMBL11807732 0.67 CA1 (0.32) KMT2A
SCHEMBL5818626 0.66 LMNA (0.33) LMNATSHR
SCHEMBL1681830 0.65 MEN1 (0.41) MEN1ALDH1A1CYP3A4KMT2A
SCHEMBL23098591 0.64 CA1 (0.33) MEN1KMT2ALMNATSHRCYP19A1

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
WO-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO disclosed
WO-2024067709-A1 PYRIDINYLAMIDE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND MEDICAL USE THEREOF 苏州阿尔脉生物科技有限公司 2024-04-04 WO disclosed