SCHEMBL1871015

SCHEMBL1871015

C=CCC(O)C(=O)OCCCCC.C=CCC(O)C(=O)OCCCCC

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
HCAR2 Q8TDS4 2/20 0.43
EPHX1 P07099 1/20 0.42
ATM Q13315 1/20 0.41
DGKA P23743 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL154640 1.00 NAAA (0.48) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL18239536 0.95 TSHR (0.53) NAAATSHRHPGDHCAR2ATM
SCHEMBL8469191 0.95 TSHR (0.53) NAAATSHRHPGDHCAR2ATM
Decanal SCHEMBL5170816 0.89 TSHR (0.46) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL11792239 0.81 TSHR (0.49) NAAATSHRHPGDHCAR2EPHX1
SCHEMBL4839922 0.79 NAAA (0.57) NAAATSHREPHX1ALDH1A1
SCHEMBL5689545 0.78 TSHR (0.55) NAAATSHRHPGDHCAR2ATM
SCHEMBL6004299 0.77 NAAA (0.55) NAAATSHRHCAR2EPHX1ALDH1A1
SCHEMBL5690813 0.77 NAAA (0.61) NAAATSHREPHX1
SCHEMBL8379630 0.77 NAAA (0.61) NAAATSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed