Hydrochloric Acid

Hydrochloric Acid

SCHEMBL3613368

CC1=C(C)C(C)(C)C([Ti+2]Oc2ccc(C)cc2-c2ccccc2C(C)C)=C1C.[Cl-].[Cl-]

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 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MDM2 Q00987 1/20 0.31
LPAR1 Q92633 1/20 0.30
ELANE P08246 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
SCHEMBL3624517 0.78 KDM4E (0.32) ALDH1A1SMN1; SMN2KDM4ELMNAMDM2
Hydrochloric Acid SCHEMBL618964 0.77 KDM4E (0.31) ALDH1A1SMN1; SMN2KDM4ELMNAMDM2
SCHEMBL3683551 0.76 NPC1 (0.31) NPC1ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL3256296 0.76 KDM4E (0.32) ALDH1A1SMN1; SMN2KDM4ELMNAMDM2
Hydrochloric Acid SCHEMBL394796 0.75 TSHR (0.31) TSHRLMNA
Hydrochloric Acid SCHEMBL3625537 0.74 HTR7 (0.34) ALDH1A1SMN1; SMN2TDP1KDM4ELMNA
SCHEMBL3684203 0.72 LPAR1 (0.48) ALDH1A1SMN1; SMN2TDP1KDM4ELMNA
Hydrochloric Acid SCHEMBL3615425 0.70 MEN1 (0.33) NPC1SMN1; SMN2TSHR
SCHEMBL3686734 0.67
SCHEMBL22320321 0.66 PTGDR2 (0.40) NPC1TSHRKDM4ELPAR1ELANE

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-7645715-B2 Bis-arylaryloxy catalytic system for producing ethylene homopolymers or ethylene copolymers with alpha-olefins SK ENERGY CO., LTD. (KR) 2010-01-12 US disclosed
US-20070249490-A1 BIS-ARYLARYLOXY CATALYTIC SYSTEM FOR PRODUCING ETHYLENE HOMOPOLYMERS OR ETHYLENE COPOLYMERS WITH ALPHA-OLEFINS SK CORPORATION (KR) 2007-10-25 US disclosed