SCHEMBL31584081

SCHEMBL31584081

CC(C)(C)OC(=O)CN1CCN(CC(=O)Oc2ccc([N+](=O)[O-])cc2)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.52
CTNNB1 P35222 1/20 0.52
MAPT P10636 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.45
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
MGLL Q99685 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
PTPN22 Q9Y2R2 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL31584076 1.00 BCL9 (0.52) BCL9CTNNB1MAPTLMNAALDH1A1
SCHEMBL12195291 0.85 KDM4E (0.56) MAPTLMNAALDH1A1GAAKCNJ1
SCHEMBL16656263 0.85 KDM4E (0.56) MAPTLMNAALDH1A1GAAKCNJ1
SCHEMBL7683844 0.85 SMN1; SMN2 (0.42) BCL9CTNNB1MAPTLMNAALDH1A1
SCHEMBL21243399 0.84 BCL9 (0.54) BCL9CTNNB1MAPTLMNAALDH1A1
SCHEMBL27730601 0.84 BCL9 (0.56) BCL9CTNNB1MAPTLMNAALDH1A1
Hydrochloric Acid SCHEMBL19668393 0.83 LMNA (0.57) BCL9CTNNB1LMNAALDH1A1GAA
SCHEMBL17985967 0.81 KCNJ1 (0.63) KCNJ1KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL17985879 0.81 KCNJ1 (0.48) MAPTLMNAALDH1A1KCNJ1KCNH2
SCHEMBL19668622 0.81 KMT2A (0.58) BCL9CTNNB1MAPTLMNAALDH1A1

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-2025106939-A1 CONJUGATES TARGETING FIBROBLAST ACTIVATION PROTEIN AND USES THEREOF Praxis Biotech LLC (US) 2025-05-22 WO disclosed