SCHEMBL8746263

SCHEMBL8746263

Cc1cc2c(c(C)c1O)CCC(C)(CC[S+](C)C)O2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
GSTP1 P09211 1/20 0.37
TTPA P49638 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
AKT1 P31749 5/20 0.37
NR1I2 O75469 2/20 0.37
CYP4F2 P78329 1/20 0.35
ALOX5 P09917 6/20 0.35
BCHE P06276 1/20 0.34
PDPK1 O15530 1/20 0.34
PHLPP1 O60346 1/20 0.34
ILK Q13418 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
SCHEMBL8950797 0.87 AKT1 (0.32) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL4279085 0.85 NR1I2 (0.41) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL4285412 0.82 NR1I2 (0.38) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL8747765 0.82 MAPT (0.37) MAPTLMNAMEN1GSTP1TTPA
Bromide SCHEMBL8603327 0.81 LMNA (0.44) MAPTLMNAMEN1GSTP1TTPA
Bromide SCHEMBL9096853 0.81 NR1I2 (0.38) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL4271053 0.81 ALOX5 (0.47) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL15833932 0.78 AKT1 (0.55) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL8746278 0.77 MAPT (0.59) MAPTLMNAMEN1GSTP1TTPA
SCHEMBL8746297 0.77 ALOX5 (0.56) MAPTLMNAMEN1GSTP1TTPA

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-0550337-B1 Tissue protective tocopherol analogs MERRELL PHARMA INC (US) 1997-02-12 EP disclosed