SCHEMBL31079258

SCHEMBL31079258

CCCCOC(=O)Nc1ccc(C#CCO)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
HPGD P15428 6/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 2/20 0.59
CASP1 P29466 1/20 0.59
KDM4E B2RXH2 1/20 0.59
MCL1 Q07820 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 3/20 0.53
TP53 P04637 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
LMNA P02545 2/20 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
SCHEMBL6347339 0.86 RAB9A (0.65) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL7564852 0.84 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL4773988 0.82 RAB9A (0.63) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL13387589 0.79 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL29892760 0.79 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL7564856 0.78 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL1699197 0.78 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL10192215 0.78 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL12411578 0.78 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL1690744 0.77 FAAH (0.69) RAB9ANPC1SMN1; SMN2HPGDMAPT

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
EP-4651872-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS Septerna, Inc. (US) 2025-11-26 EP disclosed
WO-2024155601-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE TO TREAT HYPOPARATHYROIDISM AND OSTEOPOROSIS SEPTERNA, INC. (US) 2024-07-25 WO disclosed