Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7927317

CC1=C(C)C(C)(C)C([Ti+](OC(=O)C2CCCCC2)OC(=O)C2CCCCC2)=C1C.[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 11)

geneUniProtsupporting neighboursconfidence
CHRM2 known ✓ P08172 1/20 0.31
CHRM1 known ✓ P11229 1/20 0.31
CHRM3 known ✓ P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CHRM4 P08173 1/20 0.31
RBBP9 O75884 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 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
SCHEMBL8169909 0.96 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL7928644 0.76
Hydrochloric Acid SCHEMBL7924556 0.74
Hydrochloric Acid SCHEMBL7919467 0.72 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL7928625 0.72 L3MBTL1 (0.30)
SCHEMBL7930864 0.72 POLB (0.33) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1
SCHEMBL7928375 0.71
Hydrochloric Acid SCHEMBL7927340 0.71 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL7919488 0.71
SCHEMBL7927226 0.70 POLB (0.32) ALDH1A1SMN1; SMN2CHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed