Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6909993

CC1=C(C)C([Ti+2](=C(c2ccccc2)c2ccccc2)C2C(C)=C(C)c3cc(C)ccc32)c2ccc(C)cc21.[Cl-].[Cl-]

nearest known ligand 0.35

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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
SMN1; SMN2 Q16637 2/20 0.33
PARP1 P09874 1/20 0.33
LMNA P02545 1/20 0.32
EPHX1 P07099 1/20 0.32
POLB P06746 2/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR2 P34972 1/20 0.31
PDK2 Q15119 1/20 0.31
ELANE P08246 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 0.85
Hydrochloric Acid SCHEMBL6911523 0.80 MAOA (0.32)
Hydrochloric Acid SCHEMBL6904461 0.74 SMN1; SMN2 (0.33) SMN1; SMN2LMNAPOLBCES2CES1
Hydrochloric Acid SCHEMBL6909253 0.71 HTT (0.32) SMN1; SMN2LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6905914 0.71 MAPT (0.33) LMNAPOLBMEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL715567 0.69
SCHEMBL6909995 0.68 SMN1; SMN2 (0.35) SMN1; SMN2POLBCES2CES1MEN1
Hydrochloric Acid SCHEMBL6909241 0.67 POLB (0.33) POLB
SCHEMBL25812882 0.65 ELANE (0.39) SMN1; SMN2LMNAMEN1KMT2AELANE
Hydrochloric Acid SCHEMBL27515760 0.64 MAOA (0.36) PARP1CYP1A2ELANE

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