Hydrochloric Acid

Hydrochloric Acid

SCHEMBL31303166

CCCCCC[N+](CCCCCC)=C(Cl)N(CC)CC.[Cl-]

nearest known ligand 0.36

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 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TSHR P16473 4/20 0.34
THRB P10828 1/20 0.32
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA9 Q16790 3/20 0.31
CA2 P00918 2/20 0.31
LMNA P02545 2/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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 SCHEMBL7773830 0.92 CA12 (0.32) MGLLALDH1A1CA12CA1CA9
Hydrochloric Acid SCHEMBL4603147 0.78 CA12 (0.38) ALDH1A1CA12CA1CA9CA2
SCHEMBL10350547 0.75 CA12 (0.39) MGLLALDH1A1TSHRCA12CA1
Hydrochloric Acid SCHEMBL7775666 0.73 ABCB11 (0.31) ALDH1A1CA12CA1CA9CA2
SCHEMBL17363295 0.71 CA12 (0.39) MGLLALDH1A1TSHRCA12CA1
SCHEMBL9343779 0.71 EHMT2 (0.32) MGLLALDH1A1TSHRCA12CA1
SCHEMBL13864172 0.67 CA12 (0.35) MGLLALDH1A1CA12CA1CA9
Hydrochloric Acid SCHEMBL29466158 0.67 CA12 (0.34) MGLLALDH1A1TSHRCA12CA1
SCHEMBL7792536 0.67 CA12 (0.47) MGLLALDH1A1TSHRTHRBCA12
Heptane SCHEMBL11409882 0.66

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
CN-119013366-A Liquid composition 花王株式会社 2024-11-22 CN disclosed