SCHEMBL3069387

SCHEMBL3069387

CCCC=CCCC=CCCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
EPHX2 P34913 1/20 0.47
AKT1 P31749 1/20 0.46
ALOX5 P09917 2/20 0.43
OXER1 Q8TDS5 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
CA12 O43570 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TOP1 P11387 2/20 0.38

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
SCHEMBL7700884 0.98 TSHR (0.52) TSHREPHX2AKT1ALOX5OXER1
SCHEMBL3506096 0.98 TSHR (0.52) TSHREPHX2AKT1ALOX5OXER1
SCHEMBL18339165 0.98 TSHR (0.52) TSHREPHX2AKT1ALOX5OXER1
SCHEMBL2401513 0.89 TSHR (0.63) TSHREPHX2AKT1ALOX5OXER1
SCHEMBL9188658 0.89 TSHR (0.63) TSHREPHX2AKT1ALOX5OXER1
SCHEMBL2401509 0.89 TSHR (0.63) TSHREPHX2AKT1ALOX5OXER1
SCHEMBL10225392 0.85 EPHX2 (0.58) TSHREPHX2ALOX5OXER1ALDH1A1
SCHEMBL3076326 0.85 EPHX2 (0.58) TSHREPHX2ALOX5OXER1LMNA
SCHEMBL11577145 0.85 EPHX2 (0.58) TSHREPHX2ALOX5OXER1LMNA
SCHEMBL23706440 0.84 TSHR (0.52) TSHREPHX2AKT1ALOX5OXER1

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-PP21289-P3 Hop plant named ‘HBC 394’ Hop Breeding Company, L.L.C. (US) 2010-09-14 US disclosed
US-20090193555-P1 Hop plant named 'HBC 394' HOP BREEDING COMPANY, LLC 2009-07-30 US disclosed