Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7779196

C1=C([Zr+2]C2=CC3=C(CCCCC3)C2c2ccccc2)C(c2ccccc2)C2=C1CCCCC2.[Cl-].[Cl-]

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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 7)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30

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
Hydrochloric Acid SCHEMBL7777847 1.00 NOS1 (0.33) NOS1NOS2LMNATP53GAA
Hydrochloric Acid SCHEMBL7779191 1.00 NOS1 (0.33) NOS1NOS2LMNATP53GAA
Hydrochloric Acid SCHEMBL18663191 0.82
Hydrochloric Acid SCHEMBL7142200 0.74 NOS1 (0.31) NOS1NOS2
Hydrochloric Acid SCHEMBL7143978 0.71 ADRA2C (0.30)
Hydrochloric Acid SCHEMBL7195631 0.71 ADRA2C (0.30)
Hydrochloric Acid SCHEMBL7772786 0.69
Hydrochloric Acid SCHEMBL7777100 0.69
Hydrochloric Acid SCHEMBL7780276 0.69
SCHEMBL7143983 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0780395-B1 Catalysts for the polymerization of alpha-olefins ENICHEM SPA (IT) 2001-08-29 EP disclosed
US-5917072-A CYCLOPENTADIENYL ZIRCONIUM COMPOUNDS ENICHEM S.P.A. (IT) 1999-06-29 US disclosed
EP-0780395-A1 Catalysts for the polymerization of alpha-olefins ENICHEM S.p.A. (IT) 1997-06-25 EP disclosed