SCHEMBL28741345

SCHEMBL28741345

CCCC(NC(CCCCN)C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.51
▸ SLC6A5 Q9Y345 1/20 0.50
▸ GSR P00390 1/20 0.47
▸ RNPEP Q9H4A4 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ CPB2 Q96IY4 7/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ MMP2 P08253 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ GNAI3 P08754 1/20 0.41
▸ GNAO1 P09471 1/20 0.41
▸ GNAI1 P63096 1/20 0.41
▸ ACE P12821 1/20 0.39
▸ NOD1 Q9Y239 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ AKR1A1 P14550 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39

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
SCHEMBL29463403 0.89 FOLH1 (0.49) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL29291292 0.88 FOLH1 (0.47) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL10735795 0.84 CHRM1 (0.52) FOLH1NOD1CHRM1AKR1A1CHRM3
SCHEMBL1413149 0.83 FOLH1 (0.53) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL209237 0.83 FOLH1 (0.53) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL3727817 0.83 FOLH1 (0.53) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL24376227 0.83 SLC6A5 (0.52) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL7262078 0.83 SLC6A5 (0.49) FOLH1SLC6A5GSRRNPEPSIRT6
SCHEMBL1443498 0.82 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPCPB2
SCHEMBL1443500 0.82 FOLH1 (0.56) FOLH1SLC6A5GSRRNPEPCPB2

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-114588166-A Methods for treating fungal infections 布莱阿姆青年大学 2022-06-07 — — CN disclosed
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