Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7709918

CCC1=C2CC3=C(CC)c4ccccc4C3[Zr+2]C2c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.32

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 5)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.30
BCHE P06276 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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 SCHEMBL5603824 0.70 ADRA2C (0.33)
Hydrochloric Acid SCHEMBL9016923 0.68 POLB (0.34) CYP19A1
Hydrochloric Acid SCHEMBL217506 0.67 ADRA2C (0.33)
Hydrochloric Acid SCHEMBL4062480 0.67 BCHE (0.30) BCHEACHE
Hydrochloric Acid SCHEMBL15732725 0.66
Hydrochloric Acid SCHEMBL7645544 0.63 BCHE (0.30) BCHEACHE
SCHEMBL27585047 0.63 ACHE (0.33) BCHEACHE
Hydrochloric Acid SCHEMBL218728 0.63 ADRA2C (0.36) CYP19A1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL5611348 0.63 MAPK1 (0.31) BCHEACHE
Hydrochloric Acid SCHEMBL7203977 0.62 ESR1 (0.37) CYP19A1CYP11B1CYP11B2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156209-A1 Polymerization in the presence of metallocene catalysts with bridged bis-indenyl compounds BASELL TECHNOLOGY COMANY BV (NL) 2002-10-24 US disclosed