SCHEMBL31488799

SCHEMBL31488799

COC(=O)C12CC(c3ccc(NC(=O)Oc4ccccc4)cc3)(C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.56
▸ MAPT P10636 5/20 0.56
▸ GAA P10253 4/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ THRB P10828 2/20 0.52
▸ GFER P55789 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ RAD51 Q06609 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.49
▸ POLB P06746 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ FAAH O00519 6/20 0.46
▸ RAB9A P51151 1/20 0.46

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
SCHEMBL17468122 0.80 MEN1 (0.57) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL22452619 0.77 NPC1 (0.61) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL29739451 0.77 ALDH1A1 (0.59) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL29739732 0.77 ALDH1A1 (0.63) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL8063648 0.77 ALDH1A1 (0.82) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL26132602 0.75 FAAH (0.44) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL29739665 0.75 ALDH1A1 (0.60) ALDH1A1MAPTGAASMN1; SMN2HTT
SCHEMBL25387067 0.74 NAAA (0.52) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL1107787 0.74 HSD11B1 (0.40) ALDH1A1MAPTGAAKMT2AMEN1
Phenyl 4-Methoxyphenylcarbamate SCHEMBL11183948 0.74 ALDH1A1 (0.90) ALDH1A1MAPTGAASMN1; SMN2HTT

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-2025072437-A1 HETEROARYL COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ALPHINA THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
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