SCHEMBL9744392

SCHEMBL9744392

CC(C)(C)OC(=O)NC1(CCCC(=O)O)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.40
BTK Q06187 1/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
KMT2A Q03164 2/20 0.34
ITGB3 P05106 7/20 0.33
ITGA2B P08514 7/20 0.33
FOLH1 Q04609 1/20 0.33
EPHX1 P07099 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 1/20 0.32
CTSL P07711 1/20 0.32
PPIA P62937 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 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
SCHEMBL9742297 0.91 P2RX7 (0.41) P2RX7BTKMEN1GAAKMT2A
SCHEMBL7272144 0.91 P2RX7 (0.41) P2RX7BTKMEN1GAAKMT2A
SCHEMBL9742662 0.90 P2RX7 (0.39) P2RX7BTKMEN1GAAKMT2A
SCHEMBL27594406 0.88 MEN1 (0.36) P2RX7MEN1GAAKMT2AFOLH1
SCHEMBL19188366 0.87 P2RX7 (0.39) P2RX7KMT2AEPHX1TDP1TSHR
SCHEMBL28083977 0.85 P2RX7 (0.41) P2RX7KMT2AEPHX1TDP1CTSL
SCHEMBL28275818 0.84 P2RX7 (0.39) P2RX7MEN1GAAKMT2AEPHX1
SCHEMBL22743593 0.83 FOLH1 (0.36) P2RX7BTKMEN1GAAKMT2A
SCHEMBL28220352 0.83 P2RX7 (0.40) P2RX7ITGB3ITGA2BEPHX1
SCHEMBL28210022 0.82 P2RX7 (0.38) P2RX7MEN1KMT2AEPHX1TDP1

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-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed