SCHEMBL29087342

SCHEMBL29087342

O=C(OCc1ccccc1)N1CCCC(c2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
BCL9 O00512 7/20 0.59
CTNNB1 P35222 7/20 0.59
ALDH1A1 P00352 3/20 0.57
CYP2C19 P33261 1/20 0.56
PDE4B Q07343 1/20 0.56
POLB P06746 1/20 0.56
JAK2 O60674 2/20 0.55
JAK1 P23458 2/20 0.55
TYK2 P29597 2/20 0.55
JAK3 P52333 2/20 0.55
PRMT5 O14744 1/20 0.54
WDR77 Q9BQA1 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52

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
SCHEMBL31198901 0.91 PDE4B (0.54) SMN1; SMN2NPC1RAB9ABCL9CTNNB1
SCHEMBL16158890 0.87 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL18398622 0.87 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9ABCL9CTNNB1
SCHEMBL21138877 0.86 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9ABCL9CTNNB1
SCHEMBL4392358 0.86 PRMT5 (0.56) BCL9CTNNB1ALDH1A1CYP2C19POLB
SCHEMBL2440282 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL6128832 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL5368396 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL19405234 0.85 PDE4B (0.60) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19
SCHEMBL31198971 0.85 PDE4B (0.60) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C19

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
CN-116806217-A Substituted cyclic modulators of protein phosphatase 2A (PP 2A) and methods of use thereof 拉帕塔疗法公司 2023-09-26 CN disclosed