SCHEMBL2472971

SCHEMBL2472971

CCCCOC(OCCCC)(C(OCC)OCC)C(CCCC(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPD1 P10809 1/20 0.37
BLM P54132 1/20 0.37
HSPE1 P61604 1/20 0.37
AKR1B1 P15121 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 2/20 0.36
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 7/20 0.35
PPARD Q03181 7/20 0.35
PPARA Q07869 7/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
PTPN1 P18031 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
MEN1 O00255 2/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL2472967 0.95 HSPD1 (0.34) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL2469627 0.93 HSPD1 (0.35) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL2469625 0.88 HSPD1 (0.32) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL8845925 0.82 HSPD1 (0.35) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL2898687 0.79 AKR1B1 (0.41) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL7987396 0.78 HSPD1 (0.38) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL28511643 0.77 HSPD1 (0.40) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL8680834 0.73 FFAR4 (0.49) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL8845878 0.73 HSPD1 (0.37) HSPD1BLMHSPE1AKR1B1FFAR4
SCHEMBL16353917 0.72 HSPD1 (0.39) HSPD1BLMHSPE1AKR1B1FFAR4

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
EP-2139828-B1 GAS-GENERATING PYROTECHNIC COMPOUND AND PRODUCTION PROCESS. SME (FR) 2011-10-05 EP claimed