Maleic Acid

SCHEMBL8701607

O=C(CCN1CCCCCCC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCCCCCC3)cc1C2=O.O=C(O)/C=C\C(=O)O

nearest known ligand 0.86

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
▸	TERT	O14746	16/20	0.86

▸	ALDH1A1	P00352	2/20	0.86

▸	MAPT	P10636	1/20	0.86

▸	MAPK1	P28482	1/20	0.58

▸	POLB	P06746	1/20	0.57

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
SCHEMBL3115635	0.93	TERT (1.00)	TERTALDH1A1MAPTMAPK1
SCHEMBL8706042	0.93	TERT (1.00)	TERTALDH1A1MAPTMAPK1
SCHEMBL8706439	0.93	TERT (1.00)	TERTALDH1A1MAPTMAPK1
SCHEMBL4300594	0.93	TERT (1.00)	TERTALDH1A1MAPTMAPK1
SCHEMBL4298492	0.92	TERT (1.00)	TERTALDH1A1MAPTMAPK1
SCHEMBL8704683	0.92	TERT (1.00)	TERTALDH1A1MAPTMAPK1
SCHEMBL4293444	0.82	TERT (0.95)	TERTALDH1A1MAPT
SCHEMBL9629969	0.82	TERT (1.00)	TERTALDH1A1MAPT
SCHEMBL9630665	0.81	TERT (0.79)	TERTALDH1A1MAPT
SCHEMBL4302435	0.81	TERT (0.79)	TERTALDH1A1MAPT

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
WO-1998025885-A1	ANTHRAQUINONES WITH BIOLOGICAL ACTIVITY	CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB)	1998-06-18	—	—	WO	disclosed