SCHEMBL31079281

SCHEMBL31079281

CCOC(=O)C(OC)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 7/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD11B1 P28845 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
AR P10275 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
RAB9A P51151 1/20 0.40
RORC P51449 1/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2880801 0.82 ALDH1A1 (0.55) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL31078910 0.81 LMNA (0.45) ALDH1A1POLBMAPTLMNAKDM4E
SCHEMBL12736938 0.80 POLB (0.50) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL14102434 0.80 POLB (0.50) ALDH1A1POLBMAPTKMT2ALMNA
SCHEMBL11841515 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL27370387 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL395369 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL664917 0.77 ALDH1A1 (0.56) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL11039515 0.76 ALDH1A1 (0.76) ALDH1A1POLBMAPTPKMKMT2A
SCHEMBL18053923 0.76 ALDH1A1 (0.55) ALDH1A1POLBMAPTPKMKMT2A

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