SCHEMBL31414520

SCHEMBL31414520

C[Si](C)(C)CCOCn1c(C(=O)O)c(N2CCCCC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL2204465 0.71 MARK3 (0.61) —
SCHEMBL14709938 0.69 ALDH1A1 (0.53) NPC1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL31305738 0.68 NPC1 (0.48) NPC1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL30142294 0.68 NPC1 (0.47) NPC1SMN1; SMN2HPGDMAPTPKM
SCHEMBL30142296 0.68 NPC1 (0.47) NPC1SMN1; SMN2HPGDMAPTPKM
SCHEMBL18832024 0.68 ALDH1A1 (0.52) NPC1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL30622451 0.68 CCR2 (0.53) NPC1ALDH1A1POLBMEN1KMT2A
SCHEMBL2674062 0.68 — —
SCHEMBL29520454 0.67 NPC1 (0.52) NPC1KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL6719104 0.66 NPC1 (0.53) NPC1KDM4EALDH1A1HPGDMEN1

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-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 — — EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 — — WO disclosed
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