SCHEMBL9225136

SCHEMBL9225136

COC(=O)c1cc(OCC=C(C)C)ccc1C(=O)/C=C/c1ccc(OCC=C(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.69
LMNA P02545 2/20 0.69
MAPT P10636 2/20 0.69
KMT2A Q03164 2/20 0.69
NR1I2 O75469 1/20 0.69
PGR P06401 1/20 0.69
ADRB2 P07550 1/20 0.69
ADRB1 P08588 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
HPGD P15428 1/20 0.69
CNR1 P21554 1/20 0.69
TBXA2R P21731 1/20 0.69
SLC6A2 P23975 1/20 0.69
AGTR1 P30556 1/20 0.69
ADRA1A P35348 1/20 0.69
OPRD1 P41143 1/20 0.69
OPRK1 P41145 1/20 0.69
BLM P54132 1/20 0.69
SLC6A3 Q01959 1/20 0.69
MAOB P27338 3/20 0.65

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
SCHEMBL9225141 1.00 MEN1 (0.69) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL5376922 0.85 MAOB (0.51) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL11581725 0.85 ALOX5 (0.81) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL11581722 0.85 ALOX5 (0.81) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL11394922 0.84 MAOB (0.89) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL11394919 0.84 MAOB (0.89) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL30384031 0.84 MAOB (0.89) MEN1LMNAMAPTKMT2ANR1I2
Sofalcone SCHEMBL25214686 0.81 MAPT (1.00) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL3301455 0.81 MAOB (0.79) MEN1LMNAMAPTKMT2ANR1I2
SCHEMBL3301460 0.81 MAOB (0.79) MEN1LMNAMAPTKMT2ANR1I2

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
US-5457128-A Topical preparation for healing wounds of the skin DOTT LIMITED COMPANY (JP) 1995-10-10 US disclosed
EP-0591546-A1 EXTERNAL PREPARATION FOR CURING DAMAGE TO SKIN DOTT LIMITED COMPANY (JP) 1994-04-13 EP disclosed