Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2860800

CC1=Cc2c(ccc3ccccc23)C1[Zr+2]1(C2C(C)=Cc3c2ccc2ccccc32)CC1(C)C.[Cl-].[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 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 6/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 6/20 0.33
ALDH1A1 P00352 6/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 2/20 0.33
CYP1A2 P05177 2/20 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 SCHEMBL7933297 0.83 MEN1 (0.38) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL388936 0.81 KDM4E (0.38) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL673327 0.79 KDM4E (0.36) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL5068152 0.79 KDM4E (0.36) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL6553946 0.78 KDM4E (0.38) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL6554982 0.78 KDM4E (0.38) MEN1KMT2AKDM4EPOLBMAPT
Fluoride Ion SCHEMBL7641950 0.78 KDM4E (0.38) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL8632945 0.78 KDM4E (0.38) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL6892837 0.78 KDM4E (0.36) MEN1KMT2AKDM4EPOLBMAPT
Hydrochloric Acid SCHEMBL2856354 0.77 HTR2B (0.36) HTR1AHTR7HTR2BTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1661921-B1 Synthetic lubricating oil and lubricating oil composition thereof MITSUI CHEMICALS INC (JP) 2019-07-17 EP disclosed
EP-2570472-A1 LUBRICATING OIL COMPOSITION Mitsui Chemicals, Inc. (JP) 2013-03-20 EP disclosed
US-20120135903-A1 LUBRICATING OIL COMPOSITION MITSUI CHEMICALS, INC. 2012-05-31 US disclosed
US-7795194-B2 Synthetic lubricating oil and lubricating oil composition MITSUI CHEMICALS, INC. (JP) 2010-09-14 US disclosed
US-20060116303-A1 decene-ethylene copolymer, zirconium, titanium or hafnium fluorene-containing complexes, organometallics; improved high thermal oxidation stability, viscosity index, low-temperature viscosity properties and shear stability MITSUI CHEMICALS, INC. (JP) 2006-06-01 US disclosed
EP-1661921-A1 Synthetic lubricating oil and lubricating oil composition thereof Mitsui Chemicals, Inc. (JP) 2006-05-31 EP disclosed