SCHEMBL11227675

SCHEMBL11227675

CCCCCCCCCCc1ccc(O[PH](=O)Oc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
THRA P10827 1/20 0.48
HTR2A P28223 2/20 0.48
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL2817617 0.94 THRB (0.53) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL3280809 0.94 THRB (0.53) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL678040 0.94 THRB (0.53) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL2818978 0.94 THRB (0.53) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL5685400 0.94 THRB (0.53) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL28385899 0.92 THRB (0.51) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL30229491 0.92 THRB (0.51) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL10877184 0.92 THRB (0.51) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL10592941 0.92 THRB (0.53) THRBTHRAHTR2AALDH1A1ESR1
SCHEMBL1416862 0.87 ALDH1A1 (0.47) THRBTHRAALDH1A1ESR1ADRA2A

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
US-4348494-A FOOD PACKAGING TENNECO CHEMICALS, INC. (US) 1982-09-07 US disclosed