SCHEMBL8342091

SCHEMBL8342091

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
TAAR1 Q96RJ0 4/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
LTA4H P09960 1/20 0.33
AKT1 P31749 1/20 0.32
FAAH O00519 1/20 0.32
NAAA Q02083 1/20 0.32
CA3 P07451 1/20 0.32
KDM4E B2RXH2 1/20 0.31
F13A1 P00488 1/20 0.31
GRIN2B Q13224 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
SLC6A2 P23975 1/20 0.31
CA2 P00918 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL6296613 0.79 TAAR1 (0.38) LMNASMN1; SMN2ESR1ESR2TAAR1
SCHEMBL6296615 0.79 TAAR1 (0.38) LMNASMN1; SMN2ESR1ESR2TAAR1
SCHEMBL5880733 0.72 RAB9A (0.33) LMNASMN1; SMN2ESR1ESR2FAAH
SCHEMBL6301600 0.72 KDM4E (0.34) LMNASMN1; SMN2ESR1KDM4EGRIN2B
SCHEMBL5880858 0.71 RAB9A (0.35) LMNASMN1; SMN2ESR1ESR2FAAH
SCHEMBL6301391 0.70 KDM4E (0.33) LMNASMN1; SMN2ESR1KDM4EGRIN2B
SCHEMBL6297241 0.69 LMNA (0.34) LMNASMN1; SMN2ESR1KDM4EGRIN2B
SCHEMBL6297058 0.69 LMNA (0.36) LMNAESR1ESR2KDM4EGRIN2B
SCHEMBL6297773 0.69 OPRM1 (0.33) ALDH1A1MAPTGRIN2BSIGMAR1ADRB2
SCHEMBL6297134 0.69 GRIN2B (0.35) LMNASMN1; SMN2TAAR1ALDH1A1MAPT

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