SCHEMBL19861653

SCHEMBL19861653

C=CCC[C@H](NC(=O)NC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.44
NAALAD2 Q9Y3Q0 4/20 0.44
RIMKLA Q8IXN7 1/20 0.44
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TGFBR1 P36897 1/20 0.37
MAPT P10636 1/20 0.35
FPR2 P25090 1/20 0.35

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
SCHEMBL19861654 0.83 ALDH1A1 (0.35) FOLH1LMNAALDH1A1
SCHEMBL10602859 0.81 FOLH1 (0.42) FOLH1NAALAD2RIMKLALMNAMEN1
SCHEMBL31369710 0.81 TGFBR1 (0.37) FOLH1NAALAD2RIMKLALMNAALDH1A1
Hydrochloric Acid SCHEMBL2982200 0.79 TGFBR1 (0.36) FOLH1NAALAD2RIMKLALMNAALDH1A1
SCHEMBL15601969 0.77 FOLH1 (0.50) FOLH1NAALAD2RIMKLALMNAMEN1
SCHEMBL24455554 0.76 FOLH1 (0.77) FOLH1NAALAD2RIMKLA
SCHEMBL13753737 0.76 FOLH1 (0.77) FOLH1NAALAD2RIMKLA
SCHEMBL21702910 0.74 CHRNB2 (0.38) FOLH1NAALAD2RIMKLALMNAMEN1
SCHEMBL1940630 0.73 CTSK (0.46) MEN1KMT2AMAPT
SCHEMBL14031160 0.73 CTSK (0.46) MEN1KMT2AMAPT

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
US-9891239-B2 Modulators of pharmacokinetic properties of therapeutics GILEAD SCIENCES, INC. (US) 2018-02-13 US disclosed