SCHEMBL4630613

SCHEMBL4630613

COC(=O)OC1CCCCC1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
SLC6A2 P23975 1/20 0.32
SERPINE1 P05121 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
EPHX2 P34913 1/20 0.31
CNR2 P34972 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP19A1 P11511 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL1472615 0.94 EPHX1 (0.35) EPHX1SLC6A2SERPINE1SMN1; SMN2NPC1
SCHEMBL10831369 0.87 SERPINE1 (0.33) EPHX1SERPINE1CYP19A1
SCHEMBL1080565 0.82 SERPINE1 (0.38) EPHX1SERPINE1SMN1; SMN2EPHX2KDM4E
SCHEMBL1551796 0.81 SLC18A3 (0.41) EPHX1SERPINE1CYP19A1CHRM2CHRM4
SCHEMBL111167 0.81 SLC18A3 (0.41) EPHX1SERPINE1CYP19A1CHRM2CHRM4
SCHEMBL1472617 0.81 SERPINE1 (0.33) EPHX1SERPINE1CYP19A1ALDH1A1CHRM3
SCHEMBL1551168 0.81 SLC18A3 (0.41) EPHX1SERPINE1CYP19A1CHRM2CHRM4
SCHEMBL4148362 0.81 SLC18A3 (0.41) EPHX1SERPINE1CYP19A1CHRM2CHRM4
SCHEMBL1551165 0.81 SLC18A3 (0.41) EPHX1SERPINE1CYP19A1CHRM2CHRM4
SCHEMBL1551795 0.81 SLC18A3 (0.41) EPHX1SERPINE1CYP19A1CHRM2CHRM4

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-1698684-B1 Alkyl cycloheptylmethyl carbonates and perfume compositions KAO CORP (JP) 2008-05-14 EP disclosed
EP-1698684-A1 Alkyl cycloheptylmethyl carbonates and perfume compositions Kao Corporation (JP) 2006-09-06 EP disclosed
US-4080309-A Carbonic acid ester perfumes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DT) 1978-03-21 US disclosed