SCHEMBL4359179

SCHEMBL4359179

CCOCCOCCC=C(C)C(=O)OC(=O)C(C)=CCCOCCOC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5569906 0.93 ALDH1A1 (0.37) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL16196271 0.87 ALDH1A1 (0.37) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL5166182 0.83 ALDH1A1 (0.34) ALDH1A1TSHRTHRBCYP2D6CYP2C19
Acetic Acid SCHEMBL27340722 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL27848077 0.80 ALDH1A1 (0.37) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL2836544 0.80 ALDH1A1 (0.33) ALDH1A1TSHRTHRB
SCHEMBL3081155 0.78 CD81 (0.34) ALDH1A1
SCHEMBL15333652 0.78 CYP2D6 (0.48) ALDH1A1TSHRTHRBCYP2D6CYP2C19
SCHEMBL33441 0.78 CD81 (0.34) ALDH1A1
SCHEMBL4577548 0.78 ALDH1A1 (0.45) ALDH1A1TSHRTHRBNPC1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7510769-B2 Laminate film NIPPON BEE CHEMICAL CO., LTD. (JP) 2009-03-31 US disclosed
US-20050202266-A1 Laminate film NIPPON PAINT AUTOMOTIVE COATINGS CO., LTD (JP) 2005-09-15 US disclosed