SCHEMBL26257483

SCHEMBL26257483

CCC(C)(N)C1CCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL17976970 0.97 CYP1A2 (0.36) CYP1A2ALDH1A1MEN1LMNAALOX12
SCHEMBL8485703 0.89
SCHEMBL19996992 0.81 ALDH1A1 (0.33) ALDH1A1MEN1LMNAALOX12KMT2A
SCHEMBL15314465 0.80
SCHEMBL28211801 0.79 CYP2D6 (0.32) ALDH1A1MEN1LMNAALOX12KMT2A
SCHEMBL27532811 0.78 CYP1A2 (0.38) CYP1A2ALDH1A1MEN1LMNAALOX12
SCHEMBL4497017 0.77 MEN1 (0.33) ALDH1A1MEN1LMNAALOX12KMT2A
SCHEMBL16935658 0.77 SIGMAR1 (0.33) CYP1A2ALDH1A1MEN1LMNAALOX12
SCHEMBL13640032 0.76 CYP1A2 (0.33) CYP1A2
SCHEMBL3754285 0.75 MEN1 (0.36) CYP1A2ALDH1A1MEN1LMNAALOX12

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
EP-4242213-A1 BORONIC ACID COMPOUND Lg Chem, Ltd. (KR) 2023-09-13 EP disclosed