SCHEMBL8460822

SCHEMBL8460822

CCCCC(C)(C)C.O=C(O)CCCC(O)(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
TSHR P16473 4/20 0.45
PTPN1 P18031 3/20 0.45
FABP4 P15090 3/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX15 P16050 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
PDE4A P27815 1/20 0.45

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
Adipic Acid SCHEMBL28390862 0.83 AKR1B1 (0.64) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL636456 0.82 AKR1B1 (0.40) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL515176 0.82 LMNA (0.50) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL28254708 0.81 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Palmitic Acid SCHEMBL28390208 0.81 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Stearic Acid SCHEMBL28390675 0.81 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
Myristic Acid SCHEMBL28394932 0.81 GPR84 (0.65) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL1572851 0.80 LMNA (0.53) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL11662691 0.78 LMNA (0.50) AKR1B1GPR84PPARGPPARDPPARA
SCHEMBL28450912 0.78 LMNA (0.50) AKR1B1GPR84PPARGPPARDPPARA

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-5989527-A Compositions and methods for improving the performance of chemical exfoliating agents, sunless tanning agents, skin lightening agents and insect repellents INOLEX INVESTMENT CORPORATION (US) 1999-11-23 US disclosed