SCHEMBL30693776

SCHEMBL30693776

NCCOCCOCCOCCOCCOCCOCCOCCOCCOc1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ SMN1; SMN2 Q16637 4/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ LTA4H P09960 3/20 0.55
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 2/20 0.53
▸ KDM1A O60341 2/20 0.52
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ RCOR1 Q9UKL0 1/20 0.51
▸ ITGB3 P05106 4/20 0.50
▸ ITGA2B P08514 4/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL30693786 1.00 TP53 (0.66) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30693812 1.00 TP53 (0.66) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25249238 0.84 MAPT (0.57) MAPTSMN1; SMN2TSHRLMNAITGB3
SCHEMBL30693820 0.83 TP53 (0.57) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27197306 0.80 SMN1; SMN2 (0.56) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30693840 0.80 SMN1; SMN2 (0.56) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30693817 0.80 SMN1; SMN2 (0.56) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL30693907 0.80 ALDH1A1 (0.49) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27197316 0.80 TP53 (0.51) TP53MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1224023 0.79 TP53 (0.71) TP53MAPTMEN1KMT2ASMN1; 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
EP-4274583-A2 METHODS AND COMPOUNDS FOR TREATING FRIEDREICH'S ATAXIA Design Therapeutics, Inc. (US) 2023-11-15 — — EP disclosed
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