Hydrochloric Acid

SCHEMBL15345284

COc1c(C(C)(C)C)cc2c(c1-c1ccccc1)C=C(CC(C)C)C2[Zr+2](=[SiH2])C1C(CC(C)C)=Cc2c1cc(C(C)(C)C)c(OC)c2-c1ccccc1.[Cl-].[Cl-]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

ACHE BDKRB2 CHRM1 CHRM2 CHRM3 CHRNA1 CHRNB1 CHRND CHRNE CHRNG GUCY1A1 GUCY1A2 GUCY1B1 GUCY1B2 NAMPT PTAFR SLC10A2 SLC6A2 SLC6A3 TACR1 dacA dacB dacC ftsI mrcA mrcB mrdA

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

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	PDE4A	P27815	2/20	0.33

▸	PDE4B	Q07343	2/20	0.33

▸	PDE4C	Q08493	2/20	0.33

▸	PDE4D	Q08499	2/20	0.33

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
Hydrochloric Acid SCHEMBL15410496	0.88	PDE4A (0.32)	PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL29770907	0.88	PDE4A (0.32)	PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL9960057	0.88	PDE4A (0.32)	PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15411134	0.88	PDE4B (0.32)	PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL28779170	0.85	PDE4A (0.35)	PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL28779171	0.82	PDE4A (0.35)	PDE4APDE4BPDE4CPDE4D
SCHEMBL15424253	0.82	PDE4A (0.34)	PDE4APDE4BPDE4CPDE4D
SCHEMBL9960113	0.82	PDE4A (0.34)	PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL15345341	0.81	PDE4A (0.32)	PDE4APDE4BPDE4CPDE4D
SCHEMBL15345283	0.80	PDE4A (0.33)	PDE4APDE4BPDE4CPDE4D

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-2657285-B1	moulded polypropylene with high content of beta form	BOREALIS AG (AT)	2015-07-22	—	—	EP	disclosed
EP-2657285-A1	Moulded polypropylene with high content of beta form	Borealis AG (AT)	2013-10-30	—	—	EP	disclosed