Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6895555

CCCCCCc1ccc(-c2cccc3c2C=C(c2ccc(C)s2)C3[Zr+2]C2C(c3ccc(C)s3)=Cc3c(-c4ccc(CCCCCC)cc4)cccc32)cc1.[Cl-].[Cl-]

nearest known ligand 0.35

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
HSD11B1 P28845 3/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
RARB P10826 6/20 0.33
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TOP2A P11388 1/20 0.32
TSHR P16473 1/20 0.32
TNNC1 P63316 5/20 0.31
S1PR4 O95977 2/20 0.31
S1PR1 P21453 2/20 0.31
S1PR5 Q9H228 2/20 0.31
SGPL1 O95470 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 SCHEMBL6901064 0.96 HSD11B1 (0.34) HSD11B1KDM4ERAB9AALDH1A1MAPT
Hydrochloric Acid SCHEMBL6903360 0.92 MEN1 (0.30) MEN1ALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL6903340 0.90 HSD11B1 (0.37) HSD11B1KDM4ERAB9ARARBMEN1
Hydrochloric Acid SCHEMBL6903211 0.89 KDM4E (0.32) HSD11B1KDM4ERAB9ARARBHSD17B10
Hydrochloric Acid SCHEMBL6903746 0.89 KDM4E (0.32) HSD11B1KDM4ERAB9ARARBHSD17B10
Hydrochloric Acid SCHEMBL6904819 0.89 PTAFR (0.32) MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL6902844 0.86 HSD11B1 (0.36) HSD11B1RARB
Hydrochloric Acid SCHEMBL6896959 0.85 NPC1 (0.31) RAB9AALDH1A1MAPTSMN1; SMN2S1PR1
Hydrochloric Acid SCHEMBL6898606 0.85 NPC1 (0.31) RAB9AALDH1A1MAPTSMN1; SMN2S1PR1
Hydrochloric Acid SCHEMBL6903362 0.83

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