SCHEMBL9710713

SCHEMBL9710713

N#Cc1ccc(Oc2cccc3c(O)cccc23)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.58
SLC6A3 Q01959 2/20 0.43
SLC6A4 P31645 1/20 0.43
KCNH2 Q12809 1/20 0.43
MRGPRX4 Q96LA9 3/20 0.43
ESRRA P11474 4/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
PGR P06401 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 1/20 0.40
HSPA5 P11021 1/20 0.40
HPGD P15428 1/20 0.40
CBR1 P16152 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 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
SCHEMBL9710658 0.83 AR (0.42) ARESR1ESR2MAPTSLC22A12
SCHEMBL4181361 0.83 AR (0.65) ARSLC6A3SLC6A4KCNH2MRGPRX4
SCHEMBL9563108 0.81 TTR (0.62) SLC6A3SLC6A4MRGPRX4ESRRAESR1
SCHEMBL9710755 0.78 CYP11B1 (0.49) ARSLC6A4ESR1ESR2LMNA
SCHEMBL9710630 0.76 AR (0.50) ARSLC6A3SLC6A4KCNH2MRGPRX4
SCHEMBL2985025 0.76 AR (0.56) ARSLC6A3SLC6A4KCNH2MRGPRX4
SCHEMBL9644001 0.75 STK39 (0.47) MRGPRX4ESRRAESR1ESR2HPGD
SCHEMBL11088375 0.74 AR (0.54) ARSLC6A3SLC6A4KCNH2MRGPRX4
SCHEMBL8550179 0.74 AR (0.60) ARSLC6A3SLC6A4KCNH2MRGPRX4
SCHEMBL3365482 0.74 TTR (0.70) ARSLC6A3SLC6A4KCNH2MRGPRX4

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
WO-1992018467-A1 CYANOPHENOXYNAPHTHYL OXYCARBOXYLIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-10-29 WO disclosed