SCHEMBL22223529

SCHEMBL22223529

CCCCCCCCCCCCC(NC(=O)CCCCCN1C(=O)CC(C)C1=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 6/20 0.42
▸ FOLH1 Q04609 4/20 0.41
▸ SLC6A5 Q9Y345 2/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ CYP19A1 P11511 3/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ DNM1 Q05193 1/20 0.36

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
SCHEMBL22223371 0.96 TLR2 (0.46) NOD1FOLH1SLC6A5TLR2CYP19A1
SCHEMBL24588464 0.88 NOD1 (0.40) NOD1FOLH1SLC6A5TLR2CYP19A1
SCHEMBL25919998 0.84 GLP1R (0.47) NOD1FOLH1TLR2EPHX2
SCHEMBL20651093 0.81 HDAC1 (0.38) FOLH1CYP19A1EPHX2
SCHEMBL25973097 0.81 HDAC1 (0.38) FOLH1CYP19A1EPHX2
SCHEMBL21892048 0.80 SMN1; SMN2 (0.49) CYP19A1EPHX2MEN1FAAHKMT2A
SCHEMBL18704703 0.80 SMN1; SMN2 (0.49) CYP19A1EPHX2MEN1FAAHKMT2A
SCHEMBL25920623 0.79 TLR2 (0.37) NOD1FOLH1TLR2EPHX2
SCHEMBL19703810 0.79 HPGD (0.48) SLC6A5CYP19A1EPHX2FAAHDNM1
SCHEMBL19704265 0.79 HPGD (0.48) SLC6A5CYP19A1EPHX2FAAHDNM1

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-2020146521-A2 RNAI AGENTS FOR INHIBITING EXPRESSION OF HIF-2 ALPHA (EPAS1), COMPOSITIONS THEREOF, AND METHODS OF USE Arrowhead Pharmaceuticals, Inc. (US) 2020-07-16 — — WO disclosed
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