Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902467

CC1=C(C)C([Ti+2](=C(c2ccccc2)c2ccccc2)C2C(C)=C(C)c3c(C)cccc32)c2cccc(C)c21.[Cl-].[Cl-]

nearest known ligand 0.32

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 8)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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 SCHEMBL6911183 0.81
Hydrochloric Acid SCHEMBL6905944 0.81 ALDH1A1 (0.30) ALDH1A1
Hydrochloric Acid SCHEMBL6909993 0.77 SMN1; SMN2 (0.33) RAB9AALDH1A1LMNA
Hydrochloric Acid SCHEMBL6907076 0.75 MYC (0.31) MYC
Hydrochloric Acid SCHEMBL6909253 0.71 HTT (0.32) ALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL6905914 0.70 MAPT (0.33) ALDH1A1LMNAMAPTHTT
Hydrochloric Acid SCHEMBL7800065 0.68 HTR2C (0.31)
SCHEMBL27499040 0.68 SLC6A2 (0.38) MYCALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL9422128 0.66 HTR2C (0.32) ALDH1A1
Hydrochloric Acid SCHEMBL6908390 0.66 HTR2C (0.32) ALDH1A1

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-6790917-B2 POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-09-14 US disclosed
US-20020198340-A1 Process for producing vinyl compound polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-26 US disclosed