Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9575952

CCCCCCCCCCCCCCCCCCOC[C@@H](COC(=O)CCC[n+]1ccccc1)OC(=O)NC.[Cl-]

nearest known ligand 0.48

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 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
LPAR1 Q92633 2/20 0.40
LPAR3 Q9UBY5 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ENPP2 Q13822 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP2 P42575 1/20 0.40
KMT2A Q03164 1/20 0.40

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 SCHEMBL9575957 1.00 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Hydrochloric Acid SCHEMBL9575947 1.00 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Bromide SCHEMBL9575953 0.88 RAD52 (0.50) LMNASMN1; SMN2MEN1MAPTMAPK1
Bromide SCHEMBL9575965 0.84 EPHX1 (0.39) LMNASMN1; SMN2KMT2A
Bromide SCHEMBL9575963 0.84 EPHX1 (0.39) LMNASMN1; SMN2KMT2A
Bromide SCHEMBL9575968 0.84 EPHX1 (0.39) LMNASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL9575707 0.82 PRKCA (0.61) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Hydrochloric Acid SCHEMBL9575714 0.82 PRKCA (0.61) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL9575697 0.80 ALDH1A1 (0.55) ALDH1A1LMNAPRKCAPRKCEPRKCQ
Hydrochloric Acid SCHEMBL9576028 0.80 TLR2 (0.42) ALDH1A1LMNASMN1; SMN2MEN1MAPT

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
US-5187293-A Blood platelet activating factor inhibitors HOFFMANN-LA ROCHE INC. (US) 1993-02-16 US disclosed
US-4731373-A BLOOD PLATELET ACTIVATING FACTOR HOFFMAN-LA ROCHE INC. (US) 1988-03-15 US disclosed