SCHEMBL9692884

SCHEMBL9692884

COC(=O)CCN(CCC(=O)OC)CCC1Cc2ccccc2OC1(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LTA4H P09960 1/20 0.34
NOTUM Q6P988 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MALT1 Q9UDY8 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
SCHEMBL9691985 0.83 LTA4H (0.37) LTA4HNOTUMCNR1CNR2SMN1; SMN2
Hydrochloric Acid SCHEMBL9692609 0.82 LTA4H (0.37) LTA4HNOTUMCNR1CNR2SMN1; SMN2
SCHEMBL9692382 0.80 SMN1; SMN2 (0.37) LTA4HNOTUMCNR1CNR2SMN1; SMN2
SCHEMBL9692276 0.77 MALT1 (0.48) MALT1
SCHEMBL10522969 0.76 SMN1; SMN2 (0.31) SMN1; SMN2KDM4EMITFLMNAPOLB
SCHEMBL9692870 0.75 SMN1; SMN2 (0.36) NOTUMCNR1CNR2SMN1; SMN2HIF1A
SCHEMBL9690440 0.74 SMN1; SMN2 (0.34) SMN1; SMN2HIF1AKDM4EMITFLMNA
SCHEMBL9691921 0.74 HTT (0.35) LTA4HSMN1; SMN2HIF1AKDM4EMITF
SCHEMBL10512171 0.73 MTNR1A (0.34) SMN1; SMN2HIF1AKDM4EMITFLMNA
Hydrochloric Acid SCHEMBL9692716 0.72 MTNR1A (0.33) SMN1; SMN2HIF1AKDM4EMITFLMNA

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
US-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
EP-0322361-A2 Hydrogenated 1-benzooxacycloalkyl pyridine-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1989-06-28 EP disclosed