SCHEMBL16765797

SCHEMBL16765797

C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCC(CC)CCCC.C=CC(=O)OCC(CC)CCCC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 1.00
CYP3A4 P08684 5/20 0.60
TDP1 Q9NUW8 2/20 0.60
ATM Q13315 1/20 0.60
HPGD P15428 1/20 0.55
ALDH1A1 P00352 7/20 0.53
CA2 P00918 3/20 0.53
RECQL P46063 1/20 0.50
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 3/20 0.47
HSD17B10 Q99714 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP14 P50281 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
SCHEMBL14869 1.00 TSHR (1.00) TSHRCYP3A4TDP1ATMHPGD
SCHEMBL20609794 1.00 TSHR (1.00) TSHRCYP3A4TDP1ATMHPGD
SCHEMBL29596375 1.00 TSHR (1.00) TSHRCYP3A4TDP1ATMHPGD
Fluoride SCHEMBL28158331 0.98 TSHR (0.97) TSHRCYP3A4TDP1ATMHPGD
Bromide SCHEMBL20490069 0.98 TSHR (0.97) TSHRCYP3A4TDP1ATMHPGD
Ethylene SCHEMBL670832 0.98 TSHR (0.97) TSHRCYP3A4TDP1ATMHPGD
Hydrochloric Acid SCHEMBL10432463 0.98 TSHR (0.97) TSHRCYP3A4TDP1ATMHPGD
SCHEMBL31738423 0.98 TSHR (0.97) TSHRCYP3A4TDP1ATMHPGD
Butadiene SCHEMBL8465755 0.97 TSHR (0.94) TSHRCYP3A4TDP1ATMHPGD
Ethylene Glycol SCHEMBL19639819 0.95 TSHR (0.91) TSHRCYP3A4TDP1ATMHPGD

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-20150158003-A1 MICROCAPSULES HAVING ACRYLIC POLYMERIC SHELLS AND METHODS OF MAKING SAME MICROTEK LABORATORIES, INC. 2015-06-11 US disclosed