SCHEMBL29952710

SCHEMBL29952710

CCC1(C(=O)O)CCOC1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PPARG P37231 1/20 0.32
FFAR3 O14843 1/20 0.31

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
SCHEMBL5546369 0.87 CYP2C19 (0.35) CYP2C19FFAR3
SCHEMBL353800 0.82
SCHEMBL29951712 0.79 CYP2C19 (0.33) CYP2C19CYP4F2CYP4A11PPARG
SCHEMBL31463825 0.79 CYP4F2 (0.38) CYP2C19CYP4F2CYP4A11
SCHEMBL5599762 0.78 CYP2C19 (0.31) CYP2C19
SCHEMBL31463769 0.77 TSHR (0.41) CYP2C19
SCHEMBL5545092 0.75 CYP4F2 (0.34) CYP2C19CYP4F2CYP4A11FFAR3
SCHEMBL30716833 0.74 CYP2C19 (0.42) CYP2C19FFAR3
SCHEMBL245571 0.74
SCHEMBL19154297 0.72 KDM4E (0.38)

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-2025024707-A1 INHIBITORS OF CDK2/4/6 KINASE KINNATE BIOPHARMA INC. (US) 2025-01-30 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed