SCHEMBL9040445

SCHEMBL9040445

CCC(CC)NCC(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
ADRA1A P35348 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ABCC3 O15438 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL3587355 0.77 HTT (0.33) TDP1KDM4ESMN1; SMN2
SCHEMBL3587360 0.77 HTT (0.33) TDP1KDM4ESMN1; SMN2
SCHEMBL3053937 0.72 NR2E1 (0.33) ADRA1A
SCHEMBL7777047 0.69 LMNA (0.38) LMNACNR1ADRA1ATDP1KDM4E
SCHEMBL1559904 0.69 ADRB2 (0.32)
SCHEMBL1559905 0.69 ADRB2 (0.32)
SCHEMBL1559885 0.68
SCHEMBL1559880 0.68
SCHEMBL17929828 0.68
SCHEMBL7290876 0.67

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-0402989-B1 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA NV (BE) 1996-04-03 EP disclosed
US-5075309-A For prevention and treatment of fungal diseases in mammals JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-24 US disclosed
EP-0402989-A2 Antifungal 4-[4-[4-[4-[[2-(2,4-difluorophenyl)-2-(1H-azolylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]triazolones and imidazolones JANSSEN PHARMACEUTICA N.V. (BE) 1990-12-19 EP disclosed