SCHEMBL20109675

SCHEMBL20109675

CC(C)(C)CC(C)(C)CC(C)(C)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 1/20 0.41
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.37
CYP3A4 P08684 1/20 0.37
ESR2 Q92731 1/20 0.37
FFAR1 O14842 1/20 0.37
CPT2 P23786 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TBXAS1 P24557 2/20 0.36
LMNA P02545 4/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 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
SCHEMBL13168811 0.91 NAALAD2 (0.46) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL13748365 0.82 FFAR3 (0.46) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL15074709 0.82 FFAR1 (0.52) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL23682363 0.80 NAALAD2 (0.44) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL19141627 0.80 NAALAD2 (0.39) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL19188476 0.80 NAALAD2 (0.39) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL11529406 0.80 NAALAD2 (0.50) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL21754481 0.78 NAALAD2 (0.38) NAALAD2ALDH1A1MEN1CYP1A2THRB
SCHEMBL20821016 0.78 TDP1 (0.54) ALDH1A1MEN1KMT2AESR1FFAR1
SCHEMBL758701 0.78 NAALAD2 (0.45) NAALAD2ALDH1A1MEN1CYP1A2THRB

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-2018081138-A1 BIODEGRADABLE CONTRACEPTIVE IMPLANTS YALE UNIVERSITY (US) 2018-05-03 WO disclosed