SCHEMBL11829005

SCHEMBL11829005

CCCCCCCCCCCCCCOC(=O)C(C)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
EPHX1 P07099 1/20 0.46
TSHR P16473 2/20 0.44
HTR2C P28335 1/20 0.44
CES2 O00748 1/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.42
ESR1 P03372 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41

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
SCHEMBL5709969 0.92 TSHR (0.48) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL31426780 0.86 ALDH1A1 (0.44) NAAATSHRMAPK1HCAR2NPSR1
SCHEMBL11231178 0.84 NAAA (0.47) NAAAEPHX1TSHRHTR2CCES2
SCHEMBL9845989 0.84 TSHR (0.43) NAAAEPHX1TSHRMAPK1NPSR1
SCHEMBL15287645 0.79 NAAA (0.46) NAAAEPHX1TSHRHTR2CCES2
SCHEMBL31547135 0.78 TSHR (0.38) EPHX1TSHRNPSR1LMNA
SCHEMBL7654322 0.77 TSHR (0.57) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL7658530 0.77 TSHR (0.57) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL7662341 0.77 TSHR (0.57) NAAAEPHX1TSHRGAAMAPK1
SCHEMBL5574177 0.77 NAAA (0.43) NAAAEPHX1TSHRMAPK1HCAR2

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-3995054-A MITICIDES ZOECON CORPORATION (US) 1976-11-30 US disclosed