SCHEMBL9692869

SCHEMBL9692869

COC(=O)CC1COc2ccccc2C1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.57
HDAC1 Q13547 1/20 0.46
TP53 P04637 3/20 0.46
MTNR1A P48039 2/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9692800 0.88 MALT1 (0.53) MALT1HDAC1TP53MTNR1ASIGMAR1
SCHEMBL9458737 0.86 MALT1 (0.51) MALT1HDAC1TP53MTNR1ASIGMAR1
Hydrochloric Acid SCHEMBL9239657 0.85 MALT1 (0.50) MALT1HDAC1TP53MTNR1ASIGMAR1
SCHEMBL9690389 0.83 MALT1 (0.48) MALT1HDAC1TP53MTNR1ASIGMAR1
SCHEMBL9692276 0.82 MALT1 (0.48) MALT1HDAC1TP53MTNR1ASIGMAR1
SCHEMBL9240649 0.82 MALT1 (0.48) MALT1HDAC1TP53MTNR1ASIGMAR1
SCHEMBL27525681 0.82 SIGMAR1 (0.51) MALT1HDAC1TP53SIGMAR1ALDH1A1
SCHEMBL6554292 0.82 SIGMAR1 (0.51) MALT1HDAC1TP53SIGMAR1ALDH1A1
SCHEMBL1511852 0.81 BRD4 (0.47) MTNR1A
SCHEMBL6553933 0.81 MTNR1A (0.51) MALT1TP53MTNR1A

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