Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8580579

CCCCC#Cc1ccc2c(c1)Cc1c-2ccc(C#CCCCC)c1CCC1C=Cc2ccccc21.[Cl-].[Cl-].[Zr+2]

nearest known ligand 0.31

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 3)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 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 SCHEMBL8576175 0.83 NPC1 (0.35) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL8578924 0.81 NPC1 (0.35) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL8678228 0.79 NPC1 (0.35) NPC1MAPTRAB9A
SCHEMBL8580933 0.76
Hydrochloric Acid SCHEMBL8580574 0.71 TNK2 (0.31) NPC1MAPTRAB9A
SCHEMBL8580928 0.69 TNK2 (0.31) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL8580691 0.67 GRM5 (0.44)
Hydrochloric Acid SCHEMBL8582432 0.65 NPC1 (0.32) NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL5346729 0.65 PNMT (0.46) NPC1RAB9A
SCHEMBL8580931 0.64

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-5830958-A Polynuclear metallocene preparation and use PHILLIPS PETROLEUM COMPANY (US) 1998-11-03 US disclosed
US-5705578-A Method for making and using a supported metallocene catalyst system PHILLIPS PETROLEUM COMPANY (US) 1998-01-06 US disclosed