SCHEMBL4313868

SCHEMBL4313868

C=C(C)C(=O)OCCC(CC)CCOC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 6/20 0.53
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
CA2 P00918 3/20 0.32
CA1 P00915 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL3802304 0.96 THRB (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL11584823 0.94 TSHR (0.53) THRBTSHRALDH1A1TDP1POLB
SCHEMBL11528248 0.91 TSHR (0.59) THRBTSHRALDH1A1TDP1CYP3A4
SCHEMBL11528645 0.90 TSHR (0.62) THRBTSHRALDH1A1TDP1POLB
SCHEMBL20148192 0.88 TSHR (0.65) THRBTSHRALDH1A1TDP1POLB
SCHEMBL19294374 0.86 THRB (0.46) THRBTSHRALDH1A1TDP1POLB
SCHEMBL18953068 0.85 TSHR (0.59) THRBTSHRALDH1A1TDP1POLB
SCHEMBL6757327 0.84 TSHR (0.59) THRBTSHRALDH1A1TDP1POLB
SCHEMBL2817127 0.84 TSHR (0.64) THRBTSHRALDH1A1TDP1POLB
SCHEMBL11532047 0.84 TSHR (0.59) THRBTSHRALDH1A1TDP1POLB

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
WO-2009132206-A1 COMPOSITIONS AND METHODS FOR INTRACELLULAR DELIVERY AND RELEASE OF CARGO LIQUIDIA TECHNOLOGIES, INC. (US) 2009-10-29 WO disclosed