SCHEMBL7539895

SCHEMBL7539895

CON=C1CCCCCCCCCCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FAAH O00519 1/20 0.35
ABHD16A O95870 1/20 0.35
PLA2G7 Q13093 1/20 0.35
NCEH1 Q6PIU2 1/20 0.35
DAGLB Q8NCG7 1/20 0.35
DAGLA Q9Y4D2 1/20 0.35
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL215512 1.00 TSHR (0.41) TSHRCASP1MEN1KMT2AFAAH
SCHEMBL7539236 1.00 TSHR (0.41) TSHRCASP1MEN1KMT2AFAAH
SCHEMBL211685 1.00 TSHR (0.41) TSHRCASP1MEN1KMT2AFAAH
SCHEMBL215080 1.00 TSHR (0.41) TSHRCASP1MEN1KMT2AFAAH
SCHEMBL213418 1.00
SCHEMBL211454 1.00 TSHR (0.41) TSHRCASP1MEN1KMT2AFAAH
SCHEMBL214300 0.97
SCHEMBL9313946 0.91
SCHEMBL2049906 0.84
SCHEMBL2050971 0.80 TSHR (0.33) TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672746-B1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN SA (CH) 2002-05-29 EP claimed
EP-0672746-A1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1995-09-20 EP claimed
EP-0672746-A1 Oxime ethers and perfume and flavouring compositions containing them GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1995-09-20 EP disclosed