SCHEMBL9692276

SCHEMBL9692276

COC(=O)CCN(CCC(=O)OC)CCC1COc2ccccc2C1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.48
MTNR1A P48039 2/20 0.43
HDAC1 Q13547 1/20 0.41
TP53 P04637 3/20 0.40
SIGMAR1 Q99720 1/20 0.38
ACLY P53396 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38

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
SCHEMBL9690387 0.92 MALT1 (0.42) MALT1MTNR1AHDAC1TP53ROCK2
SCHEMBL9240649 0.91 MALT1 (0.48) MALT1MTNR1AHDAC1TP53SIGMAR1
SCHEMBL9690389 0.89 MALT1 (0.48) MALT1MTNR1AHDAC1TP53SIGMAR1
SCHEMBL9692869 0.82 MALT1 (0.57) MALT1MTNR1AHDAC1TP53SIGMAR1
SCHEMBL9458737 0.82 MALT1 (0.51) MALT1MTNR1AHDAC1TP53SIGMAR1
Hydrochloric Acid SCHEMBL9239657 0.81 MALT1 (0.50) MALT1MTNR1AHDAC1TP53SIGMAR1
SCHEMBL9692800 0.80 MALT1 (0.53) MALT1MTNR1AHDAC1TP53SIGMAR1
SCHEMBL9692001 0.79 MALT1 (0.38) MALT1TP53
Hydrochloric Acid SCHEMBL9242623 0.79 TP53 (0.44) MALT1MTNR1AHDAC1TP53SIGMAR1
SCHEMBL9690382 0.79 HTT (0.56) MTNR1A

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-5112855-A Nootropic Agents CIBA-GEIGY CORPORATION (US) 1992-05-12 US disclosed
EP-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP disclosed
US-4957928-A NOOTROPIC AGENTS, COGNITION ACTIVATORS CIBA-GEIGY CORPORATION (US) 1990-09-18 US disclosed
EP-0252005-A1 Hydrogenated 1-benzooxacycloalkyl-pyridine carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-07 EP disclosed