SCHEMBL29215366

SCHEMBL29215366

CCCCCCCCCCCCCCCCOC(=O)NCC(N)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ACHE P22303 12/20 0.56
LMNA P02545 1/20 0.55
EPHX1 P07099 1/20 0.53
NOD1 Q9Y239 2/20 0.48
EPHX2 P34913 2/20 0.47

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
Hydrochloric Acid SCHEMBL31297526 0.98 NPC1 (0.56) NPC1RAB9ASMN1; SMN2ACHELMNA
SCHEMBL7064841 0.94 ACHE (0.50) NPC1RAB9ASMN1; SMN2ACHELMNA
SCHEMBL10476088 0.94 ACHE (0.50) NPC1RAB9ASMN1; SMN2ACHELMNA
SCHEMBL9061677 0.84 ACHE (0.64) ACHENOD1EPHX2
SCHEMBL7804987 0.82 ACHE (0.62) ACHENOD1EPHX2
SCHEMBL7804961 0.82 ACHE (0.62) ACHENOD1EPHX2
SCHEMBL7797292 0.82 ACHE (0.62) ACHENOD1EPHX2
SCHEMBL7803301 0.82 ACHE (0.62) ACHENOD1EPHX2
SCHEMBL3806850 0.81 ACHE (0.50) NPC1RAB9ASMN1; SMN2ACHELMNA
SCHEMBL16053917 0.78 ACHE (0.56) ACHENOD1EPHX2

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
CN-118076582-A Compositions and methods for reducing immune intolerance and treating autoimmune disorders LAPIX生物治疗股份有限公司 2024-05-24 CN disclosed