SCHEMBL9742297

SCHEMBL9742297

CC(C)(C)OC(=O)NC1(CCC(=O)O)CCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
EPHX1 P07099 1/20 0.35
FOLH1 Q04609 1/20 0.34
BTK Q06187 1/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CTSL P07711 1/20 0.33
MME P08473 1/20 0.33
MAPK1 P28482 1/20 0.33
PPIA P62937 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA2 P00918 1/20 0.32
APLNR P35414 1/20 0.32
CA1 P00915 1/20 0.31
CA7 P43166 1/20 0.31
SMO Q99835 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
SCHEMBL7272144 1.00 P2RX7 (0.41) P2RX7EPHX1FOLH1BTKGAA
SCHEMBL9742662 0.98 P2RX7 (0.39) P2RX7EPHX1FOLH1BTKGAA
SCHEMBL22743593 0.92 FOLH1 (0.36) P2RX7EPHX1FOLH1BTKGAA
SCHEMBL9744392 0.91 P2RX7 (0.40) P2RX7EPHX1FOLH1BTKGAA
SCHEMBL5538732 0.85 CTSL (0.34) P2RX7FOLH1GAAMEN1KMT2A
SCHEMBL7639921 0.84 P2RX7 (0.42) P2RX7EPHX1BTKGAAMEN1
SCHEMBL1162996 0.84 P2RX7 (0.42) P2RX7EPHX1BTKGAAMEN1
SCHEMBL9743498 0.83 CTSK (0.34) EPHX1FOLH1BTKGAAMEN1
SCHEMBL22960737 0.83 P2RX7 (0.41) P2RX7EPHX1BTKGAAMEN1
SCHEMBL27594406 0.82 MEN1 (0.36) P2RX7FOLH1GAAMEN1KMT2A

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