SCHEMBL16166393

SCHEMBL16166393

COC(OC)Oc1ccc(CC=O)c(OCC=C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.43
HPGD P15428 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CNR1 P21554 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
AGTR1 P30556 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
BLM P54132 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5164271 0.86 KDM4E (0.47) ALOX5HPGDMAPTMEN1NR1I2
SCHEMBL3897112 0.73 L3MBTL1 (0.43) HPGDMAPTMTNR1ATRPA1PTGES
SCHEMBL16166295 0.69 ALOX5 (0.40) ALOX5MEN1KMT2APTGESPTPN1
SCHEMBL5166899 0.69 TRPA1 (0.44) ALOX5HPGDADRA1AMTNR1ATRPA1
SCHEMBL8889572 0.68 MTNR1A (0.36) HPGDMAPTMTNR1ATRPA1PTGES
SCHEMBL16166184 0.68 HTT (0.43) ALOX5HPGDMEN1CNR1KMT2A
SCHEMBL3953509 0.68 ALOX5 (0.56) ALOX5HPGDMAPTMEN1NR1I2
SCHEMBL5163415 0.68 NDUFS8 (0.47) HPGDMAPTMEN1NR1I2LMNA
SCHEMBL3901893 0.67 ALOX5 (0.58) ALOX5HPGDMAPTMEN1NR1I2
SCHEMBL5166963 0.67 TRPA1 (0.45) HPGDADRA1AMTNR1ATRPA1PTGES

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
EP-2984072-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL Universita Di Pisa (IT) 2016-02-17 EP disclosed
WO-2014167481-A1 SYNTHETIC ANALOGUES OF XANTHOHUMOL UNIVERSITA' DI PISA (IT) 2014-10-16 WO disclosed