Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9016923

COC1=C2CCC3=C(OC)c4ccccc4C3[Zr+2]C2c2ccccc21.[Cl-].[Cl-]

nearest known ligand 0.34

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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
POLB P06746 2/20 0.34
CDC25A P30304 2/20 0.34
CDC25B P30305 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAP2K7 O14733 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34

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 SCHEMBL7629131 0.79 BCHE (0.32)
Hydrochloric Acid SCHEMBL9016935 0.76 ADRA2C (0.34) POLBCDC25ACDC25BKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7622884 0.72
Hydrochloric Acid SCHEMBL218728 0.68 ADRA2C (0.36) POLBADRA2CPTGS2HRH1HTR3A
Hydrochloric Acid SCHEMBL7709918 0.68 BCHE (0.30) CYP19A1
Hydrochloric Acid SCHEMBL5695277 0.66
Hydrochloric Acid SCHEMBL217506 0.64 ADRA2C (0.33) POLBADRA2CPTGS2HRH1HTR3A
Hydrochloric Acid SCHEMBL8591755 0.63 DRD2 (0.38)
Hydrochloric Acid SCHEMBL6358953 0.63 CES1 (0.35) LMNACYP19A1
Hydrochloric Acid SCHEMBL6911683 0.63 DRD2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5504232-A Process for the preparation of an olefin polymer using specific metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-02 US disclosed