Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6908382

CC(C)c1cccc(C(C)C)c1C(N)=O.CC1=C(C)C(C)C(C(N)=O)=C1C.C[Zr+2]C.[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 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 known ✓ P23975 1/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GABRA1 P14867 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
HTR2B P41595 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 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
SCHEMBL1275261 0.76 GABRA1 (0.50) FAAHCA1CA2LMNACYP1A2
SCHEMBL2851225 0.70 GABRA1 (0.43) FAAHCA1CA2LMNACYP1A2
SCHEMBL5674040 0.67 IRAK4 (0.44) FAAHCA1CA2LMNACYP1A2
Hydrochloric Acid SCHEMBL5854091 0.66 LMNA (0.33) LMNA
SCHEMBL23515243 0.66 ALDH1A1 (0.45) FAAHCA1CA2LMNACYP1A2
SCHEMBL29740369 0.66 CES2 (0.47) FAAHCA1CA2LMNACYP1A2
SCHEMBL24429226 0.66 CES2 (0.47) FAAHCA1CA2LMNACYP1A2
SCHEMBL1832023 0.64 LMNA (0.41) FAAHCA1CA2LMNACYP1A2
SCHEMBL1274731 0.63 CYP3A4 (0.40) FAAHCA1CA2LMNACYP1A2
SCHEMBL27350881 0.63 GABRA1 (0.39) FAAHCA1CA2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0839842-B1 Film made from an Ethylene-alpha-olefin copolymer MITSUBISHI CHEM CORP (JP) 2004-04-14 EP disclosed
US-6448356-B1 NARROW MOLECULAR WEIGHT DISTRIBUTION; CONTROLLING DENSITY MITSUBISHI CHEMICAL CORPORATION (JP) 2002-09-10 US disclosed
US-20020035227-A1 Ethylene-alpha-olefin copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 2002-03-21 US disclosed
EP-0683180-B1 Catalyst for polymerizing an olefin and method for polymerizing the olefin MITSUBISHI CHEM CORP (JP) 2002-03-06 EP disclosed
US-5973084-A HOMO OR COPOLYMERIZING AN ALPHA-OLEFIN IN PRESENCE OF A CATALYTIC SYSTEM CONTAINING METALLOCENE TYPE TRANSITIONAL METAL COMPOUND, AN ION EXCHANGED LAYERED COMPOUND OTHER THAN SILICATE AND AN INORGANIC ACID OR SALT TREATED SILICATE MITSUBISHI CHEMICAL CORPORATION (JP) 1999-10-26 US disclosed
EP-0839842-A2 Ethylene-alpha-olefin copolymer MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-06 EP disclosed
EP-0683180-A2 Catalyst for polymerizing an olefin and method for polymerizing the olefin MITSUBISHI CHEMICAL CORPORATION (JP) 1995-11-22 EP disclosed