SCHEMBL17533853

SCHEMBL17533853

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ TSHR P16473 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ HBB P68871 1/20 0.35
▸ TYMS P04818 1/20 0.35
▸ NT5E P21589 1/20 0.33
▸ P2RY6 Q15077 1/20 0.33
▸ P2RY14 Q15391 1/20 0.33
▸ TK1 P04183 1/20 0.32

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
SCHEMBL20879548 0.91 LMNA (0.42) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL15075492 0.90 ALDH1A1 (0.39) SMN1; SMN2P2RY6TK1
SCHEMBL25399418 0.87 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL25400298 0.83 LMNA (0.44) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL7208634 0.80 LMNA (0.38) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL17512825 0.79 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL17512823 0.79 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL15074352 0.79 LMNA (0.40) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL22110554 0.78 LMNA (0.43) LMNASMN1; SMN2MAPTESR1TSHR
SCHEMBL22666161 0.78 LMNA (0.43) LMNASMN1; SMN2MAPTESR1TSHR

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-2016028866-A1 2'-CHLORO AMINOPYRIMIDINONE AND PYRIMIDINE DIONE NUCLEOSIDES GILEAD SCIENCES, INC. (US) 2016-02-25 — — WO disclosed
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