Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8367605

CC1=C(C)C(c2ccccc2)=C([Zr+2]C2=C(c3ccccc3)C(C)=C(C)C2)C1.[Cl-].[Cl-]

nearest known ligand 0.36

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 1)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.31

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 SCHEMBL8364701 0.85 CYP2D6 (0.38)
SCHEMBL27949026 0.74 PTGS2 (0.42) PDE4B
Hydrochloric Acid SCHEMBL7458205 0.73 PDE4B (0.31) PDE4B
Hydrochloric Acid SCHEMBL9066149 0.72 CFTR (0.40)
SCHEMBL6673694 0.72 PTGS2 (0.38)
SCHEMBL20722299 0.69 ALDH1A1 (0.42) PDE4B
Hydrochloric Acid SCHEMBL8468727 0.69 PDE4B (0.31) PDE4B
Hydrochloric Acid SCHEMBL6286926 0.69 CFTR (0.38)
Hydrochloric Acid SCHEMBL7869757 0.69 CALM1 (0.37)
Hydrochloric Acid SCHEMBL618163 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999035171-A1 HIGH-MELTING POLYOLEFIN COPOLYMER ELASTOMERS, CATALYSTS AND METHODS OF SYNTHESIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY (US) 1999-07-15 WO disclosed