Malonic Acid

Malonic Acid

SCHEMBL5193759

CN1C2C=C(c3ccc(Cl)cc3)CC1CC2.O=C(O)CC(=O)O

nearest known ligand 0.55

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Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.51
SLC6A3 Q01959 5/20 0.51
SLC6A2 P23975 4/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
OPRM1 P35372 2/20 0.47
OPRD1 P41143 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTR6 P50406 1/20 0.46
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PIM1 P11309 1/20 0.37

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
SCHEMBL1021888 0.88 SLC6A2 (0.58) SLC6A4SLC6A3SLC6A2MEN1KMT2A
Malonic Acid SCHEMBL5194387 0.88 SLC6A3 (0.51) SLC6A4SLC6A3SLC6A2
Hydrochloric Acid SCHEMBL1023293 0.87 SLC6A2 (0.57) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL6217469 0.78 SLC6A2 (0.38) SLC6A4SLC6A3SLC6A2MEN1KMT2A
SCHEMBL7806031 0.76 SLC6A4 (0.80) SLC6A4SLC6A3SLC6A2MEN1KMT2A
Fumaric Acid SCHEMBL5194238 0.76 SLC6A2 (0.52) SLC6A4SLC6A3SLC6A2KMT2AOPRM1
Fumaric Acid SCHEMBL5194245 0.76 SLC6A2 (0.52) SLC6A4SLC6A3SLC6A2KMT2AOPRM1
SCHEMBL5829525 0.75 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2HTR6ALDH1A1
SCHEMBL6553385 0.75 SLC6A4 (0.58) SLC6A4SLC6A3SLC6A2HTR6ALDH1A1
SCHEMBL7809824 0.75 SLC6A3 (0.60) SLC6A4SLC6A3SLC6A2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859777-B1 8-AZABICYCLO(3.2.1)OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH AS (DK) 2007-05-23 EP disclosed
EP-1068204-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND USE OF 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 2001-01-17 EP disclosed
US-6100275-A SEROTONIN RE-UPTAKE INHIBITORS; ANTIDEPRESSANTS NEUROSEARCH A/S (DK) 2000-08-08 US disclosed
WO-1999038866-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED FORM AND USE OF 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES IN LABELLED AND UNLABELLED FORM NEUROSEARCH A/S (DK) 1999-08-05 WO disclosed
CN-1199400-A 8-azabicyclo [3.2.1] oct-2-ene derivatives, their preparation and use NEUROSEARCH AS (DK) 1998-11-18 CN disclosed
EP-0859777-A1 8-AZABICYCLO 3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1998-08-26 EP disclosed
WO-1997013770-A1 8-AZABICYCLO[3.2.1]OCT-2-ENE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1997-04-17 WO disclosed