Maleic Acid

Maleic Acid

SCHEMBL11094337

Clc1ccccc1N1CC2(CCNCC2)c2ccccc21.O=C(O)/C=C\C(=O)O

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2BTKCACNA1CCACNA1DCACNA1FCACNA1SCCR5CPT1BCPT2DPP4DRD1DRD2EGFRERBB2ERBB4HRH1HRH3HTR1AHTR2AHTR2BHTR2CHTR4JAK1JAK2JAK3MPLMTORPPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PPARGSLC6A2SLC6A3SLC6A4SMOTYK2pol

The experimentally established mechanism targets of Maleic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 known ✓ P08588 1/20 0.38
SLC6A2 known ✓ P23975 1/20 0.35
SLC6A4 known ✓ P31645 1/20 0.35
SLC6A3 known ✓ Q01959 1/20 0.35
AKT1 P31749 5/20 0.48
P2RY1 P47900 2/20 0.46
NOTUM Q6P988 2/20 0.39
REN P00797 6/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
NPY5R Q15761 1/20 0.36

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
Fumaric Acid SCHEMBL11094343 1.00 AKT1 (0.48) AKT1P2RY1NOTUMADRB1REN
Fumaric Acid SCHEMBL11083528 0.85 P2RY1 (0.47) AKT1P2RY1NOTUMNPY5R
Maleic Acid SCHEMBL11083525 0.85 P2RY1 (0.47) AKT1P2RY1NOTUMNPY5R
Maleic Acid SCHEMBL11095653 0.81 P2RY1 (0.45) AKT1P2RY1NOTUMROCK2ROCK1
Fumaric Acid SCHEMBL11095659 0.81 P2RY1 (0.45) AKT1P2RY1NOTUMROCK2ROCK1
Fumaric Acid SCHEMBL11094374 0.79 P2RY1 (0.40) AKT1P2RY1
Maleic Acid SCHEMBL11094370 0.79 P2RY1 (0.40) AKT1P2RY1
Fumaric Acid SCHEMBL11093052 0.76 MAPT (0.41) AKT1P2RY1
Maleic Acid SCHEMBL11093046 0.76 MAPT (0.41) AKT1P2RY1
Maleic Acid SCHEMBL11096220 0.76 MAPT (0.44) P2RY1NOTUMNPY5RSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4477667-A Spiro[indoline-3,4'-piperidine]s and related compounds AMERICAN HOECHST CORPORATION (US) 1984-10-16 US disclosed
US-4408050-A Spiro(indoline-3,4'-piperidine) and related compounds AMERICAN HOECHST CORPORATION (US) 1983-10-04 US disclosed
US-4379932-A Process for preparing spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1983-04-12 US disclosed
US-4379933-A Process for preparing spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1983-04-12 US disclosed
US-4345081-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1982-08-17 US disclosed
US-4307235-A Spiro[indoline-3,4'-piperidine]s AMERICAN HOECHST CORPORATION (US) 1981-12-22 US disclosed