Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7788066

CC1=C(C)C(C)C([Ti+2]NC(=O)C23CC4CC(CC(C4)C2)C3)=C1C.[Cl-].[Cl-]

nearest known ligand 0.42

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 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.39
P2RX7 Q99572 2/20 0.38
CYP17A1 P05093 3/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36

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 SCHEMBL9065946 0.77 ALDH1A1 (0.42) LMNAALDH1A1P2RX7CYP17A1CNR2
Hydrochloric Acid SCHEMBL2116807 0.72 LMNA (0.38) LMNAALDH1A1GLAP2RX7CYP17A1
Hydrochloric Acid SCHEMBL2114200 0.69 LMNA (0.38) LMNAALDH1A1GLAP2RX7CYP17A1
Hydrochloric Acid SCHEMBL9065650 0.69 P2RX7 (0.42) LMNAALDH1A1P2RX7CYP17A1CNR2
Hydrochloric Acid SCHEMBL2114509 0.69 LMNA (0.37) LMNAALDH1A1GLAP2RX7CYP17A1
Hydrochloric Acid SCHEMBL2117005 0.66 LMNA (0.39) LMNAALDH1A1GLAP2RX7CYP17A1
SCHEMBL23220249 0.63 THRB (0.63) LMNAALDH1A1GLAMEN1KMT2A
SCHEMBL2841738 0.63 THRB (0.63) LMNAALDH1A1GLAMEN1KMT2A
Hydrochloric Acid SCHEMBL7044171 0.61 HTT (0.50) LMNAALDH1A1GLAP2RX7CYP17A1
Hydrochloric Acid SCHEMBL28131943 0.61 THRB (0.61) LMNAALDH1A1GLAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0766702-B1 POLYMERIZATION CATALYST SYSTEMS, THEIR PRODUCTION AND USE EXXONMOBIL CHEM PATENTS INC (US) 2001-10-17 EP disclosed
US-5863853-A MIXING A SOLUTION OF METALLOCENE AND ACTIVATOR WITH A POROUS SUPPORT, DRYING TO FORM A CATALYST SUPPORT FOR ADDITION POLYMERIZATION EXXON CHEMICAL PATENTS, INC. (US) 1999-01-26 US disclosed
EP-0766702-A1 POLYMERIZATION CATALYST SYSTEMS, THEIR PRODUCTION AND USE EXXON CHEMICAL PATENTS INC. (US) 1997-04-09 EP disclosed
WO-1996000245-A1 POLYMERIZATION CATALYST SYSTEMS, THEIR PRODUCTION AND USE EXXON CHEMICAL PATENTS INC. (US) 1996-01-04 WO disclosed