SCHEMBL27214520

SCHEMBL27214520

CC1=CC[C@H]([C@@H](C)C[C@H]2CCCC2=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PTGS1 P23219 10/20 0.36
PTGS2 P35354 9/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.32
ALDH1A1 P00352 1/20 0.32
PTPN1 P18031 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL27214521 1.00 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL27214519 1.00 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL27231041 1.00 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL27231331 1.00 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL119790 1.00 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL1427225 1.00 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL901072 1.00 NPC1 (0.38) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL16269456 0.84 NPC1 (0.36) NPC1RAB9ALMNASMN1; SMN2PTGS1
SCHEMBL17976872 0.84 PTPN1 (0.32) PTPN1
SCHEMBL14861496 0.83 PTGS1 (0.35) NPC1RAB9ALMNASMN1; SMN2PTGS1

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
US-20240148617-A1 COATED CORE-SHELL MICROCAPSULES FIRMENICH SA (CH) 2024-05-09 US disclosed