SCHEMBL7085904

SCHEMBL7085904

CCCC(CC)C(CC)CCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
AKR1B1 P15121 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
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
KMT2A Q03164 2/20 0.48
SLC22A6 Q4U2R8 2/20 0.48
SLC22A8 Q8TCC7 1/20 0.48
MEN1 O00255 1/20 0.48
ESR1 P03372 1/20 0.48
ALOX15 P16050 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
SCHEMBL14360113 0.93 ALDH1A1 (0.50) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL7034531 0.92 ALDH1A1 (0.67) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL7083599 0.89 AKR1B1 (0.54) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL14359881 0.89 ALDH1A1 (0.47) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL5879019 0.88 FFAR4 (0.59) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL7077879 0.88 ALDH1A1 (0.58) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL5878794 0.87 ALDH1A1 (0.61) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL14360058 0.85 ALDH1A1 (0.44) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL7747661 0.85 AKR1B1 (0.54) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL2936745 0.84 ALDH1A1 (0.62) ALDH1A1AKR1B1GPR84PPARGPPARD

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-20030100469-A1 Fatty acids, soaps, surfactant systems, and consumer products based thereon CONNOR DANIEL STEDMAN (US) 2003-05-29 US claimed