SCHEMBL4454915

SCHEMBL4454915

C=C(CCCCCCC)C(=O)OCCCCCCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.67
NAAA Q02083 1/20 0.52
DGKA P23743 1/20 0.52
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX1 P07099 1/20 0.48
HTR2C P28335 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
HCAR2 Q8TDS4 1/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
GPR84 Q9NQS5 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL16264235 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL21581917 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL5309960 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL7522565 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL20604283 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL21581918 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL4537822 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL6357524 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL20604286 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1
SCHEMBL1133209 1.00 TSHR (0.67) TSHRNAAADGKARAD52NPSR1

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-8273452-B2 Polymeric films ROHM AND HAAS COMPANY (US) 2012-09-25 US disclosed
US-20090017287-A1 Polymeric films ROHM AND HAAS COMPANY 2009-01-15 US disclosed