Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8526339

COC(C)=[Zr+2](CCO)(NC(C)(C)C)C1C=Cc2ccccc21.[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 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.32

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 SCHEMBL6463695 0.71 SIGMAR1 (0.31) SIGMAR1
Ethylene Glycol SCHEMBL27633980 0.65 SIGMAR1 (0.33) SIGMAR1
Hydrochloric Acid SCHEMBL7615269 0.64 BRD4 (0.35) SIGMAR1
Hydrochloric Acid SCHEMBL8525226 0.64
Hydrochloric Acid SCHEMBL8525556 0.64 RET (0.32)
Hydrochloric Acid SCHEMBL4457339 0.63 BRD4 (0.37) SIGMAR1
Hydrochloric Acid SCHEMBL6053912 0.62 BRD4 (0.36) SIGMAR1
Hydrochloric Acid SCHEMBL8526645 0.61
Hydrochloric Acid SCHEMBL1065901 0.59 BRD4 (0.34) SIGMAR1
Hydrochloric Acid SCHEMBL3627506 0.59 HTR2A (0.37) SIGMAR1

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
EP-0953580-A1 Preparation and use of heterogeneous catalyst components for olefins polymerization REPSOL QUIMICA S.A. (ES) 1999-11-03 EP disclosed