SCHEMBL2199639

SCHEMBL2199639

C=COC(CCC)OC(=O)CCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TSHR P16473 5/20 0.41
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
LMNA P02545 2/20 0.37
AKR1B1 P15121 1/20 0.36
CYP1A2 P05177 1/20 0.35
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL2193181 0.91 ALDH1A1 (0.37) ALDH1A1TSHRFFAR4FFAR1LMNA
SCHEMBL2574114 0.86 LMNA (0.53) ALDH1A1TSHRLMNACYP1A2MEN1
SCHEMBL17818649 0.79 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL9300007 0.77 TSHR (0.35) TSHRTDP1
SCHEMBL4887095 0.76 MAPK1 (0.47) ALDH1A1TSHRLMNAAKR1B1CYP1A2
SCHEMBL3884180 0.75 TSHR (0.34) TSHRTDP1
SCHEMBL75914 0.74 TSHR (0.31) TSHR
SCHEMBL26093289 0.74 ALDH1A1 (0.36) ALDH1A1TSHRFFAR4FFAR1LMNA
SCHEMBL28137710 0.74 LMNA (0.41) ALDH1A1TSHRFFAR4FFAR1LMNA
SCHEMBL8962107 0.74 TSHR (0.44) ALDH1A1TSHRTDP1HSD17B10

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-20110171431-A1 FINE STRUCTURE AND STAMPER FOR IMPRINTING HITACHI, LTD. (JP) 2011-07-14 US disclosed