SCHEMBL9856587

SCHEMBL9856587

CC(=O)COc1ccc(OCC=C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
PGR P06401 1/20 0.49
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CNR1 P21554 1/20 0.49
TBXA2R P21731 1/20 0.49
SLC6A2 P23975 1/20 0.49
AGTR1 P30556 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
BLM P54132 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL8036010 0.86 KDM4E (0.53) MAPTHPGDMEN1NR1I2LMNA
SCHEMBL2955123 0.84 HPGD (0.50) MAPTHPGDKDM4EALDH1A1GAA
SCHEMBL3895936 0.81 L3MBTL1 (0.61) MAPTHPGDLMNAKDM4EALDH1A1
SCHEMBL4114408 0.80 KDM4E (0.49) MAPTHPGDMEN1NR1I2LMNA
Valencic Acid SCHEMBL3316632 0.80 PKM (0.53) MAPTHPGDMEN1NR1I2LMNA
SCHEMBL8045370 0.80 GAA (0.49) MAPTHPGDMEN1NR1I2LMNA
SCHEMBL10805062 0.80 NDUFS8 (0.53) MAPTMEN1LMNASLC6A2SLC6A3
SCHEMBL10792097 0.79 HTT (0.42) HPGDKDM4EALDH1A1HTT
SCHEMBL9856070 0.79 MGAM (0.55) LMNASLC6A2SLC6A3KDM4EALDH1A1
SCHEMBL9727736 0.79 CYP19A1 (0.48) KDM4EALDH1A1MTNR1AMAOBGAA

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
US-5037991-A Insecticides SANDOZ LTD. (CH) 1991-08-06 US disclosed
US-4968829-A ANTHELMINTICS, PARASITICIDES, NEMATOCIDES SANDOZ LTD. (CH) 1990-11-06 US disclosed
US-4647698-A Novel compositions SANDOZ LTD. (US) 1987-03-03 US disclosed