SCHEMBL31522725

SCHEMBL31522725

CN(C)CCOc1ccc(C[C@](N)(C(=O)O)C(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ POLB P06746 1/20 0.43
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ ESR1 P03372 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ KEAP1 Q14145 1/20 0.40
▸ NFE2L2 Q16236 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ LMNA P02545 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
SCHEMBL28884667 0.85 SMN1; SMN2 (0.45) LTA4HPPARGSMN1; SMN2KMT2AHIF1A
SCHEMBL28884665 0.85 SMN1; SMN2 (0.45) LTA4HPPARGSMN1; SMN2KMT2AHIF1A
SCHEMBL1311053 0.84 FABP5 (0.44) ALDH1A1SMN1; SMN2KMT2AHIF1AHTT
SCHEMBL27522574 0.83 SMN1; SMN2 (0.55) SMN1; SMN2KMT2ATP53HIF1AMAPT
SCHEMBL5264305 0.83 SMN1; SMN2 (0.55) SMN1; SMN2KMT2ATP53HIF1AMAPT
SCHEMBL29019464 0.83 SMN1; SMN2 (0.55) SMN1; SMN2KMT2ATP53HIF1AMAPT
SCHEMBL29019459 0.83 SMN1; SMN2 (0.42) PPARGPPARASMN1; SMN2KMT2ATP53
SCHEMBL28356620 0.83 SMN1; SMN2 (0.42) PPARGPPARASMN1; SMN2KMT2ATP53
SCHEMBL29019435 0.83 SMN1; SMN2 (0.42) PPARGPPARASMN1; SMN2KMT2ATP53
SCHEMBL16634841 0.80 SMN1; SMN2 (0.46) PPARGPPARASMN1; SMN2KMT2ACYP1A2

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-2025051912-A1 NEW PEPTIDES AS SELECTIVE IL-23 RECEPTOR INHIBITORS SANOFI (FR) 2025-03-13 — — WO disclosed
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