SCHEMBL7867044

SCHEMBL7867044

CCCCCCCCCCCCCCCCCCOC(O)(C(=O)O)C(O)(OCCCCCCCCCCCCCCCCCC)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
CES2 O00748 2/20 0.44
HCAR2 Q8TDS4 1/20 0.43
EPHX1 P07099 1/20 0.42
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
GPR84 Q9NQS5 5/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 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
SCHEMBL7867046 1.00 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL20917519 0.91 ALDH1A1 (0.43) HCAR2PPARGPPARDPPARAGPR84
SCHEMBL11240792 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL20915214 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL2785037 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL711761 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL20936508 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL20915341 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL20936457 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG
SCHEMBL16497608 0.79 NAAA (0.45) NAAACES2HCAR2EPHX1PPARG

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-6303740-B1 INCLUDING STRUCTURES HAVING A HELICAL, TUBULAR OR NEEDLE-LIKE MORPHOLOGY; STRUCTURES MAY BE STABILIZED BY POLYMERIZATION. THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY 2001-10-16 US claimed