SCHEMBL29952704

SCHEMBL29952704

O=CC(c1ccccc1)C1CCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
HTR1E P28566 2/20 0.40
S1PR3 Q99500 2/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.38
CA1 P00915 1/20 0.38
CHRM3 P20309 2/20 0.37

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
SCHEMBL1515769 0.96 IDO1 (0.46) IDO1MEN1KMT2ALMNAHTR1E
SCHEMBL193457 0.94 IDO1 (0.49) IDO1MEN1KMT2ALMNAHTR1E
SCHEMBL25326059 0.92 IDO1 (0.44) IDO1MEN1KMT2ALMNAHTR1E
SCHEMBL1156420 0.92 IDO1 (0.44) IDO1MEN1KMT2ALMNAHTR1E
SCHEMBL21495052 0.83 ALDH1A1 (0.35) IDO1
SCHEMBL28517178 0.83 ALDH1A1 (0.35) IDO1
Hydrochloric Acid SCHEMBL10963051 0.82 SLC6A2 (0.41)
SCHEMBL2719442 0.81 CYP3A4 (0.47) IDO1MEN1KMT2ALMNAHTR1E
SCHEMBL12641781 0.81 SLC6A2 (0.39)
SCHEMBL6259912 0.81 SLC6A2 (0.39)

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-2024153595-A1 CHROMANE DERIVATIVES AS EGFR SELECTIVE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2024-07-25 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