SCHEMBL21716614

SCHEMBL21716614

C=COC(=O)NCCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 2/20 0.41
ANPEP P15144 3/20 0.40
RNPEP Q9H4A4 2/20 0.40
DNPEP Q9ULA0 2/20 0.40
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
CNR1 P21554 1/20 0.36
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
PKM P14618 1/20 0.34
CAPN9 O14815 1/20 0.34
CAPN1 P07384 1/20 0.34
CTSB P07858 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNA5 P22460 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13051520 0.89 GAA (0.40) RAB9ASMN1; SMN2GAATSHRLMNA
SCHEMBL13055391 0.81 TSHR (0.35) SMN1; SMN2TSHRTDP1MAPK1
SCHEMBL3686778 0.78
SCHEMBL5949707 0.77 EPHX1 (0.48) RAB9ASMN1; SMN2GAAANPEPRNPEP
SCHEMBL4443941 0.76
SCHEMBL35664 0.75
SCHEMBL28396215 0.74 ACHE (0.57)
SCHEMBL410374 0.74 ZDHHC20 (0.52) RAB9ASMN1; SMN2GAAANPEPRNPEP
SCHEMBL12787082 0.74 ANPEP (0.43) RAB9ASMN1; SMN2GAAANPEPRNPEP
SCHEMBL21577394 0.74 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1HPGDTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022120132-A1 ANTIBODY-OLIGONUCLEOTIDE COMPLEXES AND USES THEREOF DYNE THERAPEUTICS, INC. (US) 2022-06-09 WO disclosed
US-10668676-B2 Ophthalmic devices BAUSCH & LOMB INCORPORATED (US) 2020-06-02 US disclosed
US-20200047437-A1 OPHTHALMIC DEVICES MEDICIS PHARMACEUTICAL CORPORATION 2020-02-13 US disclosed