SCHEMBL9364602

SCHEMBL9364602

CC(=O)c1ccc(OCC=C(C)C)cc1OC(C)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
PGR P06401 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
CNR1 P21554 1/20 0.51
TBXA2R P21731 1/20 0.51
SLC6A2 P23975 1/20 0.51
AGTR1 P30556 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRD1 P41143 1/20 0.51
OPRK1 P41145 1/20 0.51
BLM P54132 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
ALOX5 P09917 4/20 0.47

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
SCHEMBL3901893 0.85 ALOX5 (0.58) MEN1NR1I2LMNAPGRADRB2
SCHEMBL9364600 0.83 MEN1 (0.70) MEN1NR1I2LMNAPGRADRB2
SCHEMBL9368109 0.80 MAPT (0.64) MEN1NR1I2LMNAPGRADRB2
SCHEMBL30383463 0.80 MAPT (0.64) MEN1NR1I2LMNAPGRADRB2
SCHEMBL9368101 0.80 MAPT (0.64) MEN1NR1I2LMNAPGRADRB2
SCHEMBL6653306 0.78 MAPT (0.60) MEN1NR1I2LMNAPGRADRB2
SCHEMBL11584099 0.78 MEN1 (0.54) MEN1NR1I2LMNAPGRADRB2
SCHEMBL3953509 0.77 ALOX5 (0.56) MEN1NR1I2LMNAPGRADRB2
SCHEMBL9364616 0.77 ALDH1A1 (0.40) MAPTKMT2AMAOBKDM4EALDH1A1
SCHEMBL10540515 0.76 HPGD (0.55) MEN1NR1I2LMNAPGRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412803-B1 Chalcone derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 1994-03-23 EP disclosed
US-5089654-A Antiulcer agents TAISHO PHARMACEUTICAL CO., LTD. (JP) 1992-02-18 US disclosed
EP-0412803-A1 Chalcone derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1991-02-13 EP disclosed