Maleic Acid

SCHEMBL8308562

COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5n4Cc4ccc(F)cc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC.O=C(O)/C=C\C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

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 2)

	gene	UniProt	supporting neighbours	confidence
▸	HRH1 known ✓	P35367	20/20	1.00

▸	TACR1	P25103	1/20	0.83

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
Fumaric Acid SCHEMBL7961480	1.00	HRH1 (1.00)	HRH1TACR1
SCHEMBL1387285	0.97	HRH1 (1.00)	HRH1TACR1
Sulfuric Acid SCHEMBL7947293	0.94	HRH1 (0.95)	HRH1TACR1
Fumaric Acid SCHEMBL7961011	0.94	HRH1 (0.93)	HRH1TACR1
Maleic Acid SCHEMBL8307058	0.94	HRH1 (0.93)	HRH1TACR1
Fumaric Acid SCHEMBL7958210	0.94	HRH1 (1.00)	HRH1TACR1
Maleic Acid SCHEMBL8308074	0.94	HRH1 (1.00)	HRH1TACR1
SCHEMBL7960831	0.94	HRH1 (0.94)	HRH1TACR1
SCHEMBL1387309	0.94	HRH1 (1.00)	HRH1TACR1
SCHEMBL7947215	0.93	HRH1 (0.93)	HRH1TACR1

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0777666-B1	SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES	MERRELL PHARMA INC (US)	1999-03-03	—	—	EP	disclosed
WO-1996006094-A1	NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES	MERRELL PHARMACEUTICALS INC. (US)	1996-02-29	—	—	WO	disclosed