SCHEMBL14213183

SCHEMBL14213183

C=C(C)C(=O)OCCOC(=O)CCCCCOC(=O)CCCCCOC(=O)CCCCCC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.77
DGKA P23743 1/20 0.68
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
NAAA Q02083 1/20 0.53
DNM1 Q05193 1/20 0.53
HTR2C P28335 1/20 0.51
THRB P10828 1/20 0.50
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PAM P19021 2/20 0.49
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.46
FAAH O00519 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL13572554 0.98 TSHR (0.80) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL13531314 0.98 TSHR (0.80) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL12768712 0.98 TSHR (0.80) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL13531296 0.98 TSHR (0.80) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL20276199 0.97 DGKA (0.72) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL20276150 0.97 DGKA (0.72) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL9769723 0.97 DGKA (0.72) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL20276146 0.97 DGKA (0.72) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL20276261 0.97 DGKA (0.72) TSHRDGKAPRSS1PRSS2PRSS3
SCHEMBL20276157 0.97 DGKA (0.72) TSHRDGKAPRSS1PRSS2PRSS3

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-8329776-B2 Dental composition containing a polyfunctional (meth)acrylate comprising urethane, urea or amide groups, method of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed