Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6895494

CCCCCCc1ccc(-c2cccc3c2C=C([Zr+2]C2=Cc4c(-c5ccc(CCCCCC)cc5)cccc4C2c2ccc(C)s2)C3c2ccc(C)s2)cc1.[Cl-].[Cl-]

nearest known ligand 0.35

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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 0.33
HSD11B1 P28845 3/20 0.35
KDM4E B2RXH2 2/20 0.34
RAB9A P51151 2/20 0.34
TNNC1 P63316 5/20 0.33
S1PR1 P21453 2/20 0.33
RARB P10826 2/20 0.33
SGPL1 O95470 1/20 0.33
S1PR4 O95977 1/20 0.33
GPR183 P32249 1/20 0.33
CERS2 Q96G23 1/20 0.33
S1PR3 Q99500 1/20 0.33
S1PR5 Q9H228 1/20 0.33
HTR2A P28223 2/20 0.33
DRD2 P14416 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
SPNS2 Q8IVW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 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 SCHEMBL6901883 0.96 HSD11B1 (0.34) HSD11B1KDM4ERAB9A
Hydrochloric Acid SCHEMBL6903349 0.92 MEN1 (0.32) S1PR1MEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL7723032 0.88 EDNRB (0.30)
Hydrochloric Acid SCHEMBL6903331 0.83 KDM4E (0.30) KDM4EHSD17B10ALDH1A1HPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6902904 0.82 KDM4E (0.33) KDM4ESLC6A2SLC6A4HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL6897842 0.80 RARB (0.33) HSD11B1KDM4ERAB9ATNNC1S1PR1
Hydrochloric Acid SCHEMBL6902674 0.79 HTR2A (0.38) HSD11B1KDM4ERAB9AS1PR1S1PR4
Hydrochloric Acid SCHEMBL6895555 0.77 HSD11B1 (0.35) HSD11B1KDM4ERAB9ATNNC1S1PR1
Hydrochloric Acid SCHEMBL6898012 0.76 S1PR5 (0.32) KDM4ES1PR4S1PR5SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6903351 0.76 HSD11B1 (0.32) HSD11B1

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