SCHEMBL6513684

SCHEMBL6513684

CCCOCCOC(=O)C(C)/C(C(=O)O)=C(\C(=O)O)C(C)C(=O)OCCOCCC

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 3/20 0.35
KDM4E B2RXH2 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6513694 1.00 HSD17B10 (0.36) HSD17B10ALDH1A1TSHRKDM4EHCAR2
SCHEMBL6524369 0.89 TSHR (0.39) HSD17B10ALDH1A1TSHRHCAR2THRB
SCHEMBL6524363 0.89 TSHR (0.39) HSD17B10ALDH1A1TSHRHCAR2THRB
SCHEMBL6521016 0.88 HCAR2 (0.41) HSD17B10ALDH1A1TSHRKDM4EHCAR2
SCHEMBL6521022 0.88 HCAR2 (0.41) HSD17B10ALDH1A1TSHRKDM4EHCAR2
SCHEMBL6518548 0.87 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRKDM4ETHRB
SCHEMBL6518556 0.87 ALDH1A1 (0.50) HSD17B10ALDH1A1TSHRKDM4ETHRB
SCHEMBL6515486 0.86 CES2 (0.47) TSHRHCAR2THRBMEN1KMT2A
SCHEMBL6515494 0.86 CES2 (0.47) TSHRHCAR2THRBMEN1KMT2A
SCHEMBL6520964 0.81 ALDH1A1 (0.48) ALDH1A1TSHRHCAR2TDP1LMNA

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed