SCHEMBL20221564

SCHEMBL20221564

CC1(COC(=O)c2ccccc2)CCCC(O)CO1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA5 P30532 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ SCN1A P35498 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ ABCB1 P08183 1/20 0.37
▸ TSHR P16473 1/20 0.37

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
SCHEMBL16370114 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL16370113 1.00 CHRNB2 (0.41) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL16370388 0.85 LMNA (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL16370390 0.85 LMNA (0.42) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL18573967 0.82 LMNA (0.44) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL15106358 0.78 ALDH1A1 (0.40) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL15106356 0.78 ALDH1A1 (0.40) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL21082360 0.77 LMNA (0.45) CHRNB2CHRNA5CHRNA7CHRNA4MEN1
SCHEMBL16369934 0.77 LMNA (0.39) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A
SCHEMBL16369933 0.77 LMNA (0.39) CHRNB2CHRNA5CHRNA7CHRNA4KMT2A

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-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 — — EP disclosed
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