SCHEMBL8458602

SCHEMBL8458602

CCCCCCCCCCCCOC(=O)c1cccc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.56
SMPD1 P17405 3/20 0.56
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
ESR1 P03372 1/20 0.55
AKR1C4 P17516 1/20 0.55
AKR1C3 P42330 1/20 0.55
AKR1C2 P52895 1/20 0.55
AKR1C1 Q04828 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL11245249 1.00 MEN1 (0.64) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL27924933 1.00 MEN1 (0.64) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL22498355 1.00 MEN1 (0.64) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL8457667 1.00 MEN1 (0.64) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL22497787 0.99 MEN1 (0.65) MEN1KMT2ASMN1; SMN2LMNANPSR1
Methane SCHEMBL29016050 0.97 MEN1 (0.64) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL4450097 0.94 SMN1; SMN2 (0.67) MEN1KMT2ASMN1; SMN2LMNANPSR1
SCHEMBL17961074 0.90 SMPD1 (0.68) KMT2ALMNASMPD1ALDH1A1TSHR
SCHEMBL17961053 0.90 SMPD1 (0.68) KMT2ALMNASMPD1ALDH1A1TSHR
SCHEMBL17961060 0.90 SMPD1 (0.68) KMT2ALMNASMPD1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5936132-A Alkene intermediates and synthesis thereof MATSUMOTO MASAKATSU (JP) 1999-08-10 US disclosed
US-5698727-A 1,2-dioxetane derivatives, intermediates for syntheses thereof and methods of producing the intermediates MATSUMOTO MASAKATSU (JP) 1997-12-16 US disclosed
US-5650525-A 1,2-dioxetane derivatives, intermediates for syntheses thereof and methods of producing the intermediates TOSOH CORPORATION (JP) 1997-07-22 US disclosed
EP-0671395-A1 1,2-Dioxetane derivatives, intermediates for syntheses thereof and methods of producing the intermediates Matsumoto, Masakatsu (JP) 1995-09-13 EP disclosed