Hydrochloric Acid

Hydrochloric Acid

SCHEMBL10431017

CCCCCCCC(=O)N[Ti+2]NC(=O)CCCCCCC.[Cl-].[Cl-]

nearest known ligand 0.59

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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
HSP90AA1 P07900 1/20 0.59
FAAH O00519 6/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
CES2 O00748 3/20 0.50
CES1 P23141 3/20 0.50
GPR84 Q9NQS5 6/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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 SCHEMBL9148686 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9142802 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL10430870 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9144976 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL10430758 1.00 HSP90AA1 (0.59) HSP90AA1FAAHMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9148420 0.98 HSP90AA1 (0.56) HSP90AA1FAAHMEN1KMT2AMAPK1
Hydrochloric Acid SCHEMBL9145384 0.81 HDAC3 (0.52) HSP90AA1MEN1KMT2AMAPK1CES2
SCHEMBL10481745 0.77 HSP90AA1 (0.70) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL19359738 0.77 HSP90AA1 (0.70) HSP90AA1FAAHMEN1KMT2AMAPK1
SCHEMBL8497574 0.77 HSP90AA1 (0.70) HSP90AA1FAAHMEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0395075-A2 Liquid catalyst component, catalyst system containing the same, and process for producing ethylene-alpha-olefin copolymers using the catalyst system SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed