SCHEMBL20148192

SCHEMBL20148192

C=C(C)C(=O)OCCC(CC)CCCCCCCCC

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.65
THRB P10828 1/20 0.45
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.41
ATM Q13315 1/20 0.41
CA2 P00918 3/20 0.40
ZDHHC7 Q9NXF8 1/20 0.39
LMNA P02545 1/20 0.39
FAAH O00519 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
NAAA Q02083 1/20 0.36

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
SCHEMBL11528645 0.98 TSHR (0.62) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL651325 0.94 TSHR (0.75) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL11528248 0.94 TSHR (0.59) TSHRTHRBTDP1CYP3A4ATM
SCHEMBL4313868 0.88 THRB (0.55) TSHRTHRBTDP1CYP3A4ATM
SCHEMBL27564296 0.88 TSHR (0.61) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL2817127 0.87 TSHR (0.64) TSHRTHRBTDP1CYP3A4ATM
SCHEMBL6684134 0.87 TSHR (0.80) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL8169202 0.87 TSHR (0.80) TSHRTHRBPRSS1PRSS2PRSS3
SCHEMBL22567351 0.87 TSHR (0.62) TSHRTHRBTDP1CYP3A4ATM
SCHEMBL11584823 0.87 TSHR (0.53) TSHRTHRBTDP1CYP3A4ATM

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-20180134983-A1 ULTRA-FLUID LUBRICATING COMPOSITION TOTALENERGIES ONETECH (FR) 2018-05-17 US disclosed