SCHEMBL9115232

SCHEMBL9115232

CC(C)CCC(CCC(C)C)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.64
SLC1A2 P43004 2/20 0.64
SLC1A1 P43005 1/20 0.64
CHRM1 P11229 1/20 0.57
AKR1A1 P14550 1/20 0.57
CHRM3 P20309 1/20 0.57
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
ADRA1A P35348 1/20 0.57
HRH1 P35367 1/20 0.57
DRD3 P35462 1/20 0.57
SLC6A3 Q01959 1/20 0.57
HDAC1 Q13547 1/20 0.57
HDAC2 Q92769 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
BLM P54132 1/20 0.44
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
CA1 P00915 1/20 0.42
CPA1 P15085 1/20 0.41

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
SCHEMBL5710630 0.90 SLC1A2 (0.55) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL9845978 0.90 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL1389492 0.90 CHRM1 (0.76) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL5592479 0.88 SLC1A3 (0.59) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL2903887 0.88 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL2902181 0.88 SLC1A2 (0.53) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL29027157 0.88 FOLH1 (0.59) SLC1A3SLC1A2SLC1A1FOLH1CYP1A2
SCHEMBL584092 0.87 CA2 (0.60) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL18307368 0.87 CA2 (0.60) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1
SCHEMBL12973005 0.87 SLC1A1 (0.57) SLC1A3SLC1A2SLC1A1CHRM1AKR1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103772231-B Compounds, its synthetic method and therepic use GILEAD SCIENCES INC. (US) 2016-02-03 CN disclosed
CN-102952033-A Novel compound, composing method thereof and therapeutic use therefor GILEAD SCIENCES INC (US) 2013-03-06 CN disclosed
CN-101243096-B Antiviral compounds GILEAD SCIENCES INC 2013-02-06 CN disclosed
CN-102216325-A Method for purifying human growth hormone polypeptides using affinity resins comprising specific ligands NOVO NORDISK AS 2011-10-12 CN disclosed
CN-101489564-A Antiviral phosphinate compounds GILEAD SCIENCES INC (US) 2009-07-22 CN disclosed
CN-100409844-C neuraminidase inhibitors GILEAD SCIENCES INC (US) 2008-08-13 CN disclosed
CN-1347693-A Novel compounds, their synthesis and therapeutic use GILEAD SCIENCES INC (US) 2002-05-08 CN disclosed
CN-1272105-A Compound containing six-membered rings, processes for their preparation, and their use as medicaments GILEAD SCIENCES INC (US) 2000-11-01 CN disclosed
CN-1238762-A Piperidine compounds GILEAD SCIENCES INC (US) 1999-12-15 CN disclosed
US-5434276-A Process for making N-acyl taurides FINETEX, INC. (US) 1995-07-18 US disclosed
WO-1995018095-A1 PROCESS FOR MAKING N-ACYL TAURIDES FINETEX, INC. (US) 1995-07-06 WO disclosed
US-4352759-A CRYSTALLIZATION IN ALCOHOL, AMIDATION CHASE MANHATTAN BANK, THE NATIONAL ASSOCIATION 1982-10-05 US disclosed
US-4233229-A REACTING ACID CHLORIDE, TAURINE SALT, ALKALI METAL HYDROXIDE; PRECIPITATING ALKALI METAL CHLORIDE GAF CORPORATION (US) 1980-11-11 US disclosed