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Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7572792

CC(C)(C)c1cc(C2=C([Zr+2]C3=C(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)C=CC3)CC=C2)cc(C(C)(C)C)c1.[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 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 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 SCHEMBL9067189 0.86 PTGS2 (0.35) —
Hydrochloric Acid SCHEMBL7572280 0.83 KIF11 (0.40) KDM4EMAPT
Hydrochloric Acid SCHEMBL7565369 0.76 PTGS2 (0.39) —
Hydrochloric Acid SCHEMBL9066124 0.72 KDM4E (0.33) KDM4EGAAMAPTGABRA1GABRB2
Hydrochloric Acid SCHEMBL9066459 0.72 RARG (0.31) RXRA
Hydrochloric Acid SCHEMBL1073648 0.68 ALDH1A1 (0.32) —
Hydrochloric Acid SCHEMBL1040863 0.67 — —
Hydrochloric Acid SCHEMBL7566921 0.66 CYP1A2 (0.32) —
SCHEMBL4572745 0.65 GABRA1 (0.58) KDM4EGAAMAPTGABRA1GABRB2
Fluoride Ion SCHEMBL1130346 0.64 ALDH1A1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0540108-B1 Catalyst composition SHELL INT RESEARCH (NL) 1996-01-03 — — EP claimed
US-5279999-A Catalyst composition SHELL OIL COMPANY (US) 1994-01-18 — — US claimed
EP-0540108-A1 Catalyst composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-05-05 — — EP claimed
WO-2002083747-A2 PROCESS FOR THE PREPARATION OF A POLYMER-AMINE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-10-24 — — WO disclosed
US-5279999-A Catalyst composition SHELL OIL COMPANY (US) 1994-01-18 — — US disclosed