SCHEMBL4730995

SCHEMBL4730995

CC(O)C(C(CC(=O)O)N1CC1)(C(CC(=O)O)N1CC1)C(CC(=O)O)N1CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.34
KDM4E B2RXH2 2/20 0.34
REN P00797 1/20 0.33
ACE P12821 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 1/20 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
SCHEMBL9234649 0.74 KDM4E (0.32) SLC22A6KDM4ERENACEALDH1A1
SCHEMBL4181286 0.70 KDM4E (0.54) SLC22A6KDM4ERENACESMN1; SMN2
SCHEMBL1174393 0.70
SCHEMBL4840099 0.69 CYP2D6 (0.32)
SCHEMBL3128590 0.68 KDM4E (0.49) SLC22A6KDM4ERENACESMN1; SMN2
SCHEMBL4460407 0.67 SLC22A6 (0.36) SLC22A6KDM4ERENACESMN1; SMN2
SCHEMBL500487 0.63 KDM4E (0.47) SLC22A6KDM4ERENACESMN1; SMN2
SCHEMBL8562008 0.61 HSD17B10 (0.43) SLC22A6SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL17706711 0.61 HSD17B10 (0.43) SLC22A6SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL11713448 0.61 HSD17B10 (0.43) SLC22A6SMN1; SMN2MAPTALDH1A1LMNA

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-2008051015-A1 PHOTOCURABLE PRESSURE-SENSITIVE ADHESIVE COMPOSITION INCLUDING ACRYLIC BINDER RESIN, ADHESIVE TAPE USING THE SAME, AND ASSOCIATED METHODS CHEIL INDUSTRIES INC. (KR) 2008-05-02 WO claimed