SCHEMBL9692382

SCHEMBL9692382

COC(=O)CCNCC1Cc2ccccc2OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
LTA4H P09960 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
NOTUM Q6P988 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TP53 P04637 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
HIF1A Q16665 1/20 0.33

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 0.90 LTA4H (0.37) SMN1; SMN2KDM4EMITFLMNAPOLB
Hydrochloric Acid SCHEMBL9692609 0.89 LTA4H (0.37) SMN1; SMN2KDM4EMITFLMNAPOLB
SCHEMBL9692870 0.82 SMN1; SMN2 (0.36) SMN1; SMN2MALT1NOTUMCNR1CNR2
SCHEMBL9692884 0.80 MEN1 (0.35) SMN1; SMN2KDM4EMITFLMNAPOLB
SCHEMBL9691921 0.78 HTT (0.35) SMN1; SMN2KDM4EMITFLMNAPOLB
SCHEMBL9692800 0.77 MALT1 (0.53) MALT1TP53
SCHEMBL10512171 0.77 MTNR1A (0.34) SMN1; SMN2KDM4EMITFLMNAPOLB
Hydrochloric Acid SCHEMBL9692716 0.76 MTNR1A (0.33) SMN1; SMN2KDM4EMITFLMNAPOLB
SCHEMBL9692745 0.76 SIGMAR1 (0.42) SMN1; SMN2KDM4ELMNAPOLB
SCHEMBL9692329 0.75 SMN1; SMN2 (0.38) SMN1; SMN2MALT1CA12CA7CA9

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
EP-0322361-A2 Hydrogenated 1-benzooxacycloalkyl pyridine-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1989-06-28 EP claimed
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