Maleic Acid

SCHEMBL9224890

CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1)[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@@H]1OCOC1(C)C.O=C(O)/C=C\C(=O)O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 BTK CACNA1C CACNA1D CACNA1F CACNA1S CCR5 CPT1B CPT2 DPP4 DRD1 DRD2 EGFR ERBB2 ERBB4 HRH1 HRH3 HTR1A HTR2A HTR2B HTR2C HTR4 JAK1 JAK2 JAK3 MPL MTOR P PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PPARG SLC6A2 SLC6A3 SLC6A4 SMO TYK2 pol

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 5)

	gene	UniProt	supporting neighbours	confidence
▸	REN	P00797	20/20	0.52

▸	CTSD	P07339	1/20	0.38

▸	PGA5	P0DJD9	1/20	0.38

▸	CTSE	P14091	1/20	0.38

▸	PGC	P20142	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.

Compound	similarity	top predicted	shared targets
SCHEMBL9222971	0.97	REN (0.54)	REN
SCHEMBL9230025	0.97	REN (0.54)	REN
Hydrochloric Acid SCHEMBL9231934	0.97	REN (0.54)	REN
Cadaverine Tartrate SCHEMBL9222905	0.95	REN (0.52)	REN
SCHEMBL9227589	0.93	REN (0.56)	REN
Citric Acid SCHEMBL9224343	0.92	REN (0.50)	REN
SCHEMBL9225954	0.88	REN (0.46)	REN
SCHEMBL9229678	0.88	REN (0.51)	REN
SCHEMBL9230686	0.88	REN (0.48)	RENCTSDPGA5CTSEPGC
SCHEMBL9231299	0.88	REN (0.54)	REN

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0656356-A1	DIOXACYCLOALKANE COMPOUND WITH RENIN-INHIBITING ACTIVITY	JAPAN TOBACCO INC. (JP)	1995-06-07	—	—	EP	disclosed