SCHEMBL6684640

SCHEMBL6684640

CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC(OC(=O)O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.61
ALDH1A1 P00352 7/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
LMNA P02545 5/20 0.61
MAPT P10636 4/20 0.61
SERPINA6 P08185 4/20 0.61
MAPK1 P28482 3/20 0.61
CYP2C9 P11712 3/20 0.61
TSHR P16473 3/20 0.61
HIF1A Q16665 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
ABCB11 O95342 2/20 0.61
SHBG P04278 2/20 0.61
GPBAR1 Q8TDU6 2/20 0.61
NR3C2 P08235 2/20 0.61
CYP2C19 P33261 2/20 0.61
NR1I2 O75469 2/20 0.61
NR3C1 P04150 2/20 0.61
PGR P06401 2/20 0.61

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
SCHEMBL10893814 0.93 ALDH1A1 (0.62) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL220822 0.93 ALDH1A1 (0.62) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9360183 0.93 CYP3A4 (0.62) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL28718285 0.90 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL28255051 0.90 CYP3A4 (0.59) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
Acetic Acid SCHEMBL582377 0.90 ALDH1A1 (0.64) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL138289 0.90 ALDH1A1 (0.67) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL2042111 0.89 CYP3A4 (0.58) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL27681847 0.89 CYP3A4 (0.58) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL11023737 0.89 CYP3A4 (0.60) CYP3A4ALDH1A1SMN1; SMN2LMNAMAPT

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-2004064720-A2 A PROCESS TO APPLY THE EFFECTIVENESS OF COCONUT FLOWER SMT. SULOCHANADEVI SINGHANIA SCHOOL (IN) 2004-08-05 WO claimed