Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7927331

CC1C2=C(CCCC2)C2=C1C([Ti+2]OC(=O)c1cccc3ccccc13)CCC2.[Cl-].[Cl-]

nearest known ligand 0.36

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 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB2 P07550 2/20 0.35
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
TLR2 O60603 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
CDC25B P30305 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
NPC1 O15118 2/20 0.32
PLK1 P53350 1/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL7931069 0.97 KMT2A (0.36) GAAPOLBKMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL7925463 0.81 KMT2A (0.43) GAAPOLBKMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL7925472 0.81 GAA (0.38) GAAPOLBKMT2AADRB2ADRB1
Hydrochloric Acid SCHEMBL7928323 0.81 GAA (0.36) GAAPOLBKMT2AADRB2ADRB1
SCHEMBL7928350 0.81 LMNA (0.33) KMT2AALDH1A1LMNA
SCHEMBL7925421 0.80 KMT2A (0.36) GAAPOLBKMT2AADRB2ADRB1
SCHEMBL7925418 0.80 GAA (0.36) GAAPOLBKMT2AADRB2ADRB1
SCHEMBL7927412 0.79 GAA (0.36) GAAPOLBKMT2AADRB2ADRB1
SCHEMBL7919336 0.79 GAA (0.36) GAAPOLBKMT2AADRB2ADRB1
SCHEMBL7925366 0.78 KMT2A (0.35) GAAPOLBKMT2AADRB2ADRB1

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