Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7927366

O=C(O[Ti+2]C1C2=C(CCCC2)C2=C1CCCC2)c1ccc(F)cc1.[Cl-].[Cl-]

nearest known ligand 0.38

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
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ATM Q13315 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 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
SCHEMBL7924740 0.95 KDM4E (0.37) KDM4EMEN1KMT2AMAPTCASP3
Hydrochloric Acid SCHEMBL7919308 0.86 KMT2A (0.38) MEN1KMT2AMAPTMAPK1ATM
SCHEMBL7927636 0.81 TSHR (0.38) MEN1KMT2AMAPTLMNA
Hydrochloric Acid SCHEMBL7925867 0.80 KMT2A (0.35) KDM4EMEN1KMT2AMAPTCASP3
Hydrochloric Acid SCHEMBL7927362 0.80 MEN1 (0.36) KDM4EMEN1KMT2AMAPTCASP3
SCHEMBL7928302 0.77 MEN1 (0.35) KDM4EMEN1KMT2AMAPTCASP3
SCHEMBL7924742 0.75 MEN1 (0.37) KDM4EMEN1KMT2AMAPTCASP3
Hydrochloric Acid SCHEMBL7928514 0.75 KDM4E (0.38) KDM4EMEN1KMT2AMAPTCASP3
SCHEMBL7928326 0.73 KDM4E (0.39) KDM4EMEN1KMT2AMAPTCASP3
Hydrochloric Acid SCHEMBL7930888 0.72

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