Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5790083

CCCC(=O)N[Ti+2]C1=C(C)C(C)=C(C)C1C.[Cl-].[Cl-]

nearest known ligand 0.33

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 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 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 SCHEMBL5854971 0.67 HDAC3 (0.32) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL9145384 0.65 HDAC3 (0.52) TP53HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL5855556 0.65 HDAC3 (0.30) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL2118348 0.65 HDAC3 (0.30) HDAC3HDAC1HDAC2HDAC8HDAC6
Hydrochloric Acid SCHEMBL6690484 0.61 TP53 (0.36) TP53HDAC3HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL4940713 0.59 HPGD (0.31)
SCHEMBL8162945 0.58
SCHEMBL4823777 0.56
SCHEMBL1643947 0.55 HDAC3 (0.63) TP53HDAC3HDAC1HDAC2HDAC8
SCHEMBL6634673 0.55 HDAC3 (0.63) TP53HDAC3HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006083303-A1 POLYMERIZATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-08-10 WO disclosed
WO-2006009942-A1 POLYMERIZATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-01-26 WO disclosed
WO-2006009945-A1 IMPACT COPOLYMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-01-26 WO disclosed
WO-2006002132-A2 OLEFIN POLYMERIZATION PROCESS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-01-05 WO disclosed