Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6553929

CC1C(C)[Zr+2]1(C1C=Cc2c(C3CCCCC3)cccc21)C1C=Cc2c(C3CCCCC3)cccc21.[Cl-].[Cl-]

nearest known ligand 0.33

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 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 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 SCHEMBL6554723 0.73 HTR2C (0.33) HTR1AHTR7
SCHEMBL28063342 0.71 CYP11B2 (0.34) PTGS2HTR1AHTR7
SCHEMBL7598197 0.69 PTGDR2 (0.35) PTGS2HTR1AHTR7
Hydrochloric Acid SCHEMBL6459144 0.69 CEL (0.30)
Hydrochloric Acid SCHEMBL6553477 0.69 KDM4E (0.31) HTR1AHTR7
SCHEMBL31240954 0.64 HTR2C (0.52) PTGS2HTR1AHTR7
SCHEMBL42781 0.62 PTGDR2 (0.48) PTGS2
Hydrochloric Acid SCHEMBL6465548 0.62 MEN1 (0.35)
SCHEMBL239469 0.61 ABCB1 (0.43) PTGS2HTR1AHTR7
Benzene SCHEMBL27853973 0.61 PTGDR2 (0.52) PTGS2

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-0773237-B1 Olefin polymerization catalyst system MITSUI CHEMICALS INC (JP) 2004-02-18 EP disclosed