SCHEMBL22666161

SCHEMBL22666161

CC(=O)OC[C@]1(CCl)CCC(n2cc(F)c(=O)[nH]c2=O)O1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ HBB P68871 1/20 0.37
▸ TYMS P04818 1/20 0.36
▸ P2RY6 Q15077 2/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ NT5E P21589 1/20 0.34

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
SCHEMBL22110554 1.00 LMNA (0.43) LMNAMAPTESR1SMN1; SMN2TSHR
SCHEMBL20879429 0.88 ALDH1A1 (0.43) SMN1; SMN2P2RY6
SCHEMBL12060749 0.79 LMNA (0.53) LMNAMAPTESR1SMN1; SMN2TSHR
SCHEMBL26284249 0.78 LMNA (0.46) LMNAMAPTESR1SMN1; SMN2TSHR
SCHEMBL26804160 0.78 LMNA (0.46) LMNAMAPTESR1SMN1; SMN2TSHR
SCHEMBL17533853 0.78 LMNA (0.41) LMNAMAPTESR1SMN1; SMN2TSHR
SCHEMBL30590087 0.74 LMNA (0.40) LMNAMAPTESR1SMN1; SMN2TSHR
SCHEMBL20879499 0.73 TK1 (0.47) LMNATSHRPMP22
SCHEMBL31652974 0.73 LMNA (0.51) LMNAMAPTESR1SMN1; SMN2TSHR
SCHEMBL20879548 0.73 LMNA (0.42) LMNAMAPTESR1SMN1; SMN2TSHR

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-3738969-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES FOR USE IN TREATING PNEUMOVIRINAE VIRUS INFECTIONS Gilead Sciences, Inc. (US) 2020-11-18 — — EP disclosed
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