Maleic Acid

Maleic Acid

SCHEMBL11447588

CN(C)[C@@H]1CC(Cl)C[C@H]1N(C(=O)CCCl)c1ccccc1.O=C(O)/C=C\C(=O)O

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A known ✓ P28223 2/20 0.36
▸ HTR2C known ✓ P28335 2/20 0.36
▸ HTR2B known ✓ P41595 2/20 0.36
▸ SLC6A4 known ✓ P31645 3/20 0.35
▸ SLC6A2 known ✓ P23975 2/20 0.35
▸ SLC6A3 known ✓ Q01959 2/20 0.35
▸ DRD2 known ✓ P14416 1/20 0.35
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MITF O75030 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ SIGMAR1 Q99720 3/20 0.36
▸ LMNA P02545 2/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM3 P20309 1/20 0.35

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
SCHEMBL11446840 0.94 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KMT2AMITF
SCHEMBL11447829 0.94 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KMT2AMITF
SCHEMBL11465725 0.94 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KMT2AMITF
Maleic Acid SCHEMBL11332167 0.92 ALDH1A1 (0.42) NPC1RAB9AALDH1A1KMT2AMITF
Oxalic Acid SCHEMBL11447368 0.91 ALDH1A1 (0.43) NPC1RAB9AALDH1A1KMT2AMITF
SCHEMBL11341207 0.86 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KMT2AMITF
SCHEMBL11332173 0.86 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KMT2AMITF
SCHEMBL11336631 0.86 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KMT2AMITF
SCHEMBL11446546 0.85 ALDH1A1 (0.44) NPC1RAB9AALDH1A1KMT2AMITF
Hydrochloric Acid SCHEMBL11573548 0.85 ALDH1A1 (0.45) NPC1RAB9AALDH1A1KMT2AMITF

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
US-4204003-A N-(2-Aminocyclopentyl)-N-alkanoylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1980-05-20 — — US claimed
US-4204003-A N-(2-Aminocyclopentyl)-N-alkanoylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1980-05-20 — — US disclosed
US-4159340-A N-(2-Aminocyclopentyl)-N-acylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
US-4157398-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-06-05 — — US disclosed
US-4156733-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-05-29 — — US disclosed
US-4156015-A N-(2-Aminocyclopentyl)acylanilides and treating depression THE UPJOHN COMPANY (US) 1979-05-22 — — US disclosed
US-4148913-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-04-10 — — US disclosed
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