SCHEMBL4663145

SCHEMBL4663145

CCCC1C(C(=O)O)C12CCCCC2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.32
GBA1 P04062 1/20 0.32
CYP2C19 P33261 1/20 0.31
SCN2A Q99250 2/20 0.30
KAT2A Q92830 2/20 0.30

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
SCHEMBL11196525 0.73 CYP2C19 (0.36) GBA1CYP2C19
SCHEMBL1635419 0.70 UGT2B7 (0.33) GBA1CYP2C19
SCHEMBL15362595 0.70 KAT2A (0.34) SLC1A2KAT2A
SCHEMBL6268367 0.70 UGT2B7 (0.33) GBA1CYP2C19
SCHEMBL1633940 0.67 UGT2B7 (0.33) GBA1
SCHEMBL16969453 0.67 OPRM1 (0.33) GBA1
SCHEMBL10776004 0.67 UGT2B7 (0.35)
SCHEMBL10776006 0.67 UGT2B7 (0.35)
SCHEMBL11009300 0.65
SCHEMBL11004398 0.63

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
EP-1558230-B1 SPIROCYCLOPROPYL AMIDES AND ACIDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LAB (US) 2008-12-31 EP disclosed