SCHEMBL16557197

SCHEMBL16557197

CC(C)C(=O)C(CCCCN)NC=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.40
▸ FOLH1 Q04609 1/20 0.38
▸ ADH1B P00325 1/20 0.37
▸ ADH1C P00326 1/20 0.37
▸ ADH1A P07327 1/20 0.37
▸ ADH4 P08319 1/20 0.37
▸ ADH7 P40394 1/20 0.37
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ RNPEP Q9H4A4 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ NMT2 O60551 1/20 0.34
▸ NMT1 P30419 1/20 0.34
▸ CPB2 Q96IY4 6/20 0.33

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
SCHEMBL20054902 0.83 ADH1B (0.42) GSRFOLH1ADH1BADH1CADH1A
SCHEMBL17210488 0.82 GSR (0.42) GSRFOLH1ADH1BADH1CADH1A
SCHEMBL23615392 0.82 CPB2 (0.36) GSRFOLH1ADH1BADH1CADH1A
SCHEMBL13218612 0.80 GSR (0.44) GSRFOLH1ADH1BADH1CADH1A
SCHEMBL20435279 0.80 FOLH1 (0.41) GSRFOLH1GNAI3GNAO1GNAI1
SCHEMBL1168516 0.80 GSR (0.53) GSRFOLH1SLC6A5RNPEPCPB2
SCHEMBL1168511 0.80 GSR (0.53) GSRFOLH1SLC6A5RNPEPCPB2
SCHEMBL18105654 0.80 GSR (0.44) GSRFOLH1ADH1BADH1CADH1A
SCHEMBL28786641 0.80 GSR (0.53) GSRFOLH1SLC6A5RNPEPCPB2
SCHEMBL27250381 0.80 FOLH1 (0.41) GSRFOLH1GNAI3GNAO1GNAI1

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-2015035102-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF FUNGAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2015-03-12 — — WO disclosed
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