SCHEMBL31233182

SCHEMBL31233182

O=C(Oc1ccccc1)N1CCC[C@@H](c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 2/20 0.59
HPGD P15428 1/20 0.59
HIF1A Q16665 1/20 0.59
GAA P10253 1/20 0.56
ROCK2 O75116 1/20 0.56
ROCK1 Q13464 1/20 0.56
HSD11B1 P28845 4/20 0.54
PDE4B Q07343 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 1/20 0.52
PARP14 Q460N5 1/20 0.52
PARP10 Q53GL7 1/20 0.52
POLB P06746 1/20 0.50

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
SCHEMBL31233140 0.91 CHRNA7 (0.60) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL31233097 0.87 PDE4B (0.60) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL5968846 0.84 NPC1 (0.61) ALDH1A1LMNAGAAPDE4BMEN1
SCHEMBL19675469 0.83 ROCK2 (0.60) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL15878959 0.83 ALDH1A1 (0.68) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL12352751 0.83 ROCK2 (0.60) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL12745808 0.83 GAA (0.69) ALDH1A1LMNAGAAROCK2ROCK1
SCHEMBL20827242 0.82 MEN1 (0.57) ALDH1A1LMNAGAAPDE4BMEN1
SCHEMBL4392358 0.81 PRMT5 (0.56) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL21138877 0.81 ALDH1A1 (0.57) ALDH1A1LMNAHPGDHIF1ASMN1; SMN2

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
WO-2024213877-A1 PROCESS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2024-10-17 WO disclosed