SCHEMBL20173666

SCHEMBL20173666

CCC(CCCCCCCCCC(=O)OCC1CO1)CCCCCCC(=O)OCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MGLL Q99685 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR3 Q9UBY5 2/20 0.44

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
SCHEMBL20173665 1.00 CYP3A4 (0.49) CYP3A4TSHRATMTDP1MGLL
SCHEMBL11287718 1.00 CYP3A4 (0.49) CYP3A4TSHRATMTDP1MGLL
SCHEMBL11287723 0.95 MGLL (0.47) CYP3A4TSHRATMTDP1MGLL
SCHEMBL28545053 0.85 MGLL (0.50) MGLLALDH1A1LMNAPOLBLPAR1
SCHEMBL11288097 0.85 MGLL (0.50) MGLLALDH1A1LMNAPOLBLPAR1
SCHEMBL28543835 0.85 MGLL (0.50) MGLLALDH1A1LMNAPOLBLPAR1
SCHEMBL29617429 0.85 MGLL (0.50) MGLLALDH1A1LMNAPOLBLPAR1
SCHEMBL15397388 0.84 LPAR1 (0.52) MGLLLPAR1LPAR3
SCHEMBL29316648 0.84 MGLL (0.45) MGLLALDH1A1LMNAPOLB
SCHEMBL471890 0.84 MGLL (0.60) CYP3A4MGLLALDH1A1LMNAPOLB

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-20180142137-A1 AGGREGATING COMPOSITIONS, MODIFIED PARTICULATE SOLID COMPOSITIONS, AND METHODS FOR MAKING AND USING SAME THE LUBRIZOL CORPORATION 2018-05-24 US disclosed