Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904729

CCCCc1ccc(-c2cccc3c2C=C(c2ccc(C)o2)C3[Zr+2]C2C(c3ccc(C)o3)=Cc3c(-c4ccc(CCCC)cc4)cccc32)cc1.[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 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
NFKB1 P19838 1/20 0.31
S1PR1 P21453 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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 SCHEMBL6898160 0.96 RARB (0.33) HSD11B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6904150 0.94
Hydrochloric Acid SCHEMBL6905351 0.91 EDNRB (0.31)
Hydrochloric Acid SCHEMBL6903263 0.89 EIF4A1 (0.36) HSD11B1
Hydrochloric Acid SCHEMBL6903364 0.89 CHRM2 (0.34) NPC1ALDH1A1MAPTNFKB1S1PR1
Hydrochloric Acid SCHEMBL6901945 0.89 CHRM2 (0.32) NPC1ALDH1A1MAPTNFKB1S1PR1
Hydrochloric Acid SCHEMBL6901804 0.85 HSD11B1 (0.36) HSD11B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6900458 0.85 ALOX5 (0.34) HSD11B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6901874 0.85 ALOX5 (0.32) HSD11B1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6897910 0.85 TDP1 (0.33) ALDH1A1MAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed