Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5854560

CC1=C(C)C(C)C([Hf+2](NC(=O)c2cccc(C(C)(C)C)c2)[SiH](c2ccccc2)c2ccccc2)=C1C.[Cl-].[Cl-]

nearest known ligand 0.40

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
ACHE known ✓ P22303 3/20 0.36
NR1H4 Q96RI1 1/20 0.40
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
KCNK9 Q9NPC2 1/20 0.36
LMNA P02545 4/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
MAPK1 P28482 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
CTSL P07711 2/20 0.34
BRAF P15056 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 SCHEMBL5853163 0.87 NR1H4 (0.41) NR1H4HDAC8HDAC6ACHEKCNK9
Hydrochloric Acid SCHEMBL5853626 0.87 SMN1; SMN2 (0.45) HDAC8HDAC6KCNK9NPC1ALDH1A1
Hydrochloric Acid SCHEMBL5853650 0.87 SMN1; SMN2 (0.33) HDAC8HDAC6LMNANPC1ALDH1A1
Hydrochloric Acid SCHEMBL5854430 0.83 POLB (0.36) KCNK9NPC1RAB9AMEN1KMT2A
Hydrochloric Acid SCHEMBL5853885 0.82 ITGB1 (0.35) NR1H4LMNARXRARXRBGAA
Hydrochloric Acid SCHEMBL5854993 0.79 L3MBTL1 (0.34)
Hydrochloric Acid SCHEMBL5853600 0.79 SMN1; SMN2 (0.32) SMN1; SMN2
Hydrochloric Acid SCHEMBL5855501 0.78 NR1H4 (0.41) NR1H4HDAC8HDAC6ACHEKCNK9
Hydrochloric Acid SCHEMBL5854894 0.78 KMT2A (0.37) LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL5855617 0.78 NAPRT (0.30)

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
US-7037989-B2 Copolymers of ethylene and/or α-olefins and vicinally disubstituted olefins EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-05-02 US disclosed
WO-2004106394-A1 COPOLYMERS OF ETHYLENE AND/OR α-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-12-09 WO disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed