SCHEMBL27980396

SCHEMBL27980396

CC(=O)C(CC(C)CCS)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.36
RNPEP Q9H4A4 1/20 0.35
ENPEP Q07075 5/20 0.35
BLM P54132 2/20 0.32
ANPEP P15144 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
SLC7A5 Q01650 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
SCHEMBL27911653 0.81 CHRM1 (0.44) NFKB1
SCHEMBL9637730 0.80 FOLH1 (0.43) FOLH1RNPEPENPEPBLMANPEP
SCHEMBL5179485 0.79 CYP1A2 (0.50) FOLH1MAPTCYP1A2
SCHEMBL9586717 0.74 RNPEP (0.38) RNPEPENPEPBLMKDM4EMAPT
SCHEMBL25335004 0.73
SCHEMBL180035 0.72 RNPEP (0.50) RNPEPALDH1A1SLC7A5
SCHEMBL13225821 0.71 ENPEP (0.40) RNPEPENPEPBLMKDM4EMAPT
SCHEMBL9638452 0.71 FOLH1 (0.47) FOLH1ENPEPBLMKDM4EMAPT
SCHEMBL7850493 0.71 FOLH1 (0.66) FOLH1ENPEPANPEPCYP1A2
SCHEMBL11131728 0.70 TP53 (0.43) FOLH1RNPEPENPEPSMN1; SMN2ALDH1A1

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-101657424-B Dual-action antihypertensive agent THERAVANCE INC US 2014-09-24 CN disclosed