SCHEMBL30174945

SCHEMBL30174945

CCCCOC(=O)N1C(=O)CCC1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ KLK7 P49862 4/20 0.39
▸ KLK5 Q9Y337 4/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39
▸ PRSS3 P35030 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ USP2 O75604 2/20 0.39
▸ ALOX15 P16050 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
SCHEMBL9941763 0.93 CHRM2 (0.39) L3MBTL1TSHRTDP1ALDH1A1CYP3A4
SCHEMBL9941131 0.88 KMT2A (0.37) L3MBTL1ALDH1A1MAPK1BCHEMEN1
SCHEMBL1742832 0.85 P2RX7 (0.43) ALDH1A1KMT2APOLB
SCHEMBL14963432 0.85 ELANE (0.39) L3MBTL1ALDH1A1KMT2APOLBUSP2
SCHEMBL11020094 0.82 PSEN1 (0.49) ALDH1A1CYP3A4MAPK1MEN1KMT2A
SCHEMBL3728443 0.79 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL15383781 0.79 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL19419776 0.79 KLK7 (0.51) KLK7KLK5PRSS1PRSS2PRSS3
SCHEMBL16975191 0.79 MME (0.38) ALDH1A1KMT2A
SCHEMBL598928 0.79 SMN1; SMN2 (0.45) L3MBTL1MEN1KMT2ASMN1; SMN2

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
EP-4132944-A1 INHIBITORS OF NOROVIRUS AND CORONAVIRUS REPLICATION Cocrystal Pharma, Inc. (US) 2023-02-15 — — EP disclosed
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