SCHEMBL9089951

SCHEMBL9089951

CCCCCCc1ccc(OC(=O)CCC)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.64
THRA P10827 4/20 0.64
BCL9 O00512 1/20 0.53
CTNNB1 P35222 1/20 0.53
FAAH O00519 1/20 0.53
ALDH1A1 P00352 4/20 0.51
ESR1 P03372 2/20 0.51
ADRA2A P08913 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
TACR2 P21452 2/20 0.51
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
KDM4E B2RXH2 1/20 0.51
SHBG P04278 1/20 0.51
TP53 P04637 1/20 0.51
HSPD1 P10809 1/20 0.51
ADRB3 P13945 1/20 0.51

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
SCHEMBL28381508 1.00 THRB (0.64) THRBTHRABCL9CTNNB1FAAH
SCHEMBL10525898 1.00 THRB (0.64) THRBTHRABCL9CTNNB1FAAH
SCHEMBL11706888 0.94 THRB (0.58) THRBTHRABCL9CTNNB1FAAH
SCHEMBL10620500 0.94 THRB (0.64) THRBTHRAFAAHALDH1A1ESR1
SCHEMBL28748404 0.94 THRB (0.64) THRBTHRAFAAHALDH1A1ESR1
SCHEMBL24372243 0.94 THRB (0.64) THRBTHRAFAAHALDH1A1ESR1
SCHEMBL2885452 0.94 THRB (0.64) THRBTHRAFAAHALDH1A1ESR1
SCHEMBL7930191 0.94 THRB (0.64) THRBTHRAFAAHALDH1A1ESR1
SCHEMBL30294036 0.94 THRB (0.64) THRBTHRAFAAHALDH1A1ESR1
SCHEMBL28805567 0.94 THRB (0.64) THRBTHRAFAAHALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571925-A HORMONES INHIBITORS FOR HYPOTENSIVE AGENTS ELI LILLY AND COMPANY (US) 1996-11-05 US disclosed
US-5563278-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0438869-B1 Improvements in and relating to angiotensin II antagonists LILLY CO ELI (US) 1994-12-14 EP disclosed
US-5312936-A Hypotensive agents ELI LILLY AND COMPANY (US) 1994-05-17 US disclosed
US-5073566-A Hypotensive agents ELI LILLY AND COMPANY (US) 1991-12-17 US disclosed
EP-0438869-A1 Improvements in and relating to angiotensin II antagonists ELI LILLY AND COMPANY (US) 1991-07-31 EP disclosed