SCHEMBL8340631

SCHEMBL8340631

C[C@]1(CCc2ccc(O)cc2)CC(O)=CC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TAAR1 Q96RJ0 3/20 0.40
MAPT P10636 2/20 0.40
ESR1 P03372 3/20 0.36
ESR2 Q92731 1/20 0.36
AKT1 P31749 1/20 0.36
CAPN1 P07384 1/20 0.36
KDM4E B2RXH2 4/20 0.33
F13A1 P00488 1/20 0.33
CA2 P00918 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
ADRA2A P08913 3/20 0.33
SLC6A2 P23975 3/20 0.33
ADORA3 P0DMS8 2/20 0.33
TACR2 P21452 2/20 0.33

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
SCHEMBL8008891 1.00 LMNA (0.40) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL8010689 0.82 ESR1 (0.38) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL6296613 0.80 TAAR1 (0.38) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL6296615 0.80 TAAR1 (0.38) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL7999858 0.78 ESR1 (0.41) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL8345206 0.78 ESR1 (0.41) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL8008694 0.76 EGFR (0.35) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL8346206 0.76 EGFR (0.35) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL5880929 0.75 SMN1; SMN2 (0.33) LMNASMN1; SMN2ALDH1A1TAAR1MAPT
SCHEMBL8340435 0.74 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1TAAR1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO claimed
WO-1999014210-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 5,6-DIHYDRO-2H-PYRAN-2-ONES WARNER-LAMBERT COMPANY (US) 1999-03-25 WO disclosed