Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7553157

COc1cccc2c1-c1ccccc1C2[Zr+2]1(C2=C(C)C=CC2)CC1.[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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
NR3C1 P04150 1/20 0.36
POLL Q9UGP5 1/20 0.36
TOP1 P11387 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
APAF1 O14727 1/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
DUSP3 P51452 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP19A1 P11511 1/20 0.32
HTR2C P28335 2/20 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 SCHEMBL7548715 0.84 GPR3 (0.33)
Hydrochloric Acid SCHEMBL7546013 0.82 NR3C1 (0.36) NR3C1POLLTOP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7552358 0.79 NR3C1 (0.38) NR3C1POLLTOP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7549910 0.76 NR3C1 (0.34) NR3C1POLLHTR1ADRD2
Hydrochloric Acid SCHEMBL7549765 0.72 NR3C1 (0.38) NR3C1POLLTOP1MEN1KMT2A
Hydrochloric Acid SCHEMBL8673075 0.68 NR3C1 (0.36) NR3C1POLLTOP1MEN1KMT2A
Hydrochloric Acid SCHEMBL7553756 0.68 GPR3 (0.31)
Hydrochloric Acid SCHEMBL2860029 0.68 GPR3 (0.31)
Hydrochloric Acid SCHEMBL9412837 0.67 NR3C1 (0.39) NR3C1POLLTOP1MEN1KMT2A
Hydrochloric Acid SCHEMBL8510210 0.65 BCHE (0.33) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0841349-B1 Catalyst for alpha-olefin polymerization and production of poly-alpha-olefin therewith MITSUI CHEMICALS INC (JP) 2002-06-12 EP disclosed
US-6121394-A Metallocene-catalyzed olefin polymerization in the absence of aluminoxane MITSUI CHEMICALS, INC. (JP) 2000-09-19 US disclosed
EP-0500944-B1 CATALYST FOR ALPHA-OLEFIN POLYMERIZATION AND PRODUCTION OF POLY-ALPHA-OLEFIN THEREWITH MITSUI CHEMICALS INC (JP) 1998-10-07 EP disclosed
EP-0841349-A2 Catalyst for alpha-olefin polymerization and production of poly-alpha-olefin therewith MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 EP disclosed
EP-0500944-A1 CATALYST FOR $g(a)-OLEFIN POLYMERIZATION AND PRODUCTION OF POLY-$g(a)-OLEFIN THEREWITH MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-09-02 EP disclosed