Hexanoate

Hexanoate

SCHEMBL11045296

CCCCCC(=O)O.O=C1CCCCCN1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.50
FKBP5 Q13451 1/20 0.50
CRBN Q96SW2 1/20 0.50
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 7/20 0.48
PPARD Q03181 7/20 0.48
PPARA Q07869 7/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
PTPN1 P18031 3/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
KMT2A Q03164 2/20 0.48
OR51E2 Q9H255 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48

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
Undecanoate SCHEMBL28132949 0.98 GPR84 (0.52) AKR1B1FKBP5CRBNGPR84PPARG
Octanoic Acid SCHEMBL28646037 0.98 GPR84 (0.52) AKR1B1FKBP5CRBNGPR84PPARG
Myristic Acid SCHEMBL782903 0.98 GPR84 (0.52) AKR1B1FKBP5CRBNGPR84PPARG
Palmitic Acid SCHEMBL30231127 0.97 GPR84 (0.53) AKR1B1FKBP5CRBNGPR84PPARG
Caprolactam SCHEMBL8162069 0.95 FKBP5 (0.52) AKR1B1FKBP5CRBNGPR84PPARG
Hexanoate SCHEMBL7413873 0.94 AKR1B1 (0.53) AKR1B1FKBP5CRBNGPR84PPARG
Tridecanoate SCHEMBL10007182 0.92 GPR84 (0.55) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL9387065 0.92 GPR84 (0.55) AKR1B1GPR84PPARGPPARDPPARA
Adipic Acid SCHEMBL9437142 0.92 CRBN (0.59) FKBP5CRBNGPR84TSHROR51E2
Octanoic Acid SCHEMBL8989223 0.92 GPR84 (0.45) AKR1B1FKBP5CRBNGPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107829163-B A kind of preparation method of modified polyamide composite fibre 韩建华 2019-10-22 CN disclosed
CN-107922660-A Synthesis of Surface Functionalized Polyamides 巴斯夫欧洲公司 2018-04-17 CN disclosed
CN-107829163-A Preparation method of modified polyamide composite fiber 长沙秋点兵信息科技有限公司 2018-03-23 CN disclosed
US-4470928-A REDUCING 5-CYANOVALERIC ACID OBTAINED FROM ADIPIC ACID, ADIPONITRILE AND ALCOHOL; LACTAMIZATION ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-09-11 US disclosed