SCHEMBL23323441

SCHEMBL23323441

CCC(NC(=O)OC(C)(C)C)c1ccc(-c2ccc(OCc3ccccc3)c3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.44
PTPN1 P18031 1/20 0.43
PPARA Q07869 2/20 0.41
FAAH O00519 1/20 0.41
BCL2 P10415 1/20 0.41
AAK1 Q2M2I8 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
MAPT P10636 1/20 0.40
SSTR3 P32745 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.38

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
SCHEMBL25976304 0.90 PTPN1 (0.42) SYKPTPN1PPARABCL2AAK1
SCHEMBL31314669 0.90 PTPN1 (0.42) SYKPTPN1PPARABCL2AAK1
SCHEMBL22703470 0.90 PTPN1 (0.42) SYKPTPN1PPARABCL2AAK1
SCHEMBL31314662 0.82 AAK1 (0.38) SYKPTPN1PPARABCL2AAK1
SCHEMBL29334447 0.79 NPC1 (0.40) MAPTCYP2D6MEN1KMT2A
SCHEMBL27984256 0.78 SYK (0.51) SYKPPARACTSSCTSKMAPT
SCHEMBL9608914 0.77 CTSK (0.56) SYKFAAHCTSSCTSKMAPT
SCHEMBL5212724 0.77 CTSK (0.56) SYKFAAHCTSSCTSKMAPT
SCHEMBL12203909 0.77 CTSK (0.56) SYKFAAHCTSSCTSKMAPT
Hydrochloric Acid SCHEMBL31314675 0.76 GHSR (0.42) AAK1MEN1KMT2A

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-2021086995-A1 RNAI AGENTS FOR INHIBITING EXPRESSION OF BETA-ENAC, COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2021-05-06 WO disclosed