Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5853885

CC1=C(C)C(C)C([Hf+2](NC(=O)c2ccccc2C(C)(C)C)[SiH](c2ccccc2)c2ccccc2)=C1C.[Cl-].[Cl-]

nearest known ligand 0.35

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 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
NR1H4 Q96RI1 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 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
Hydrochloric Acid SCHEMBL5852541 0.88 ITGB1 (0.34) ITGB1ITGA4LMNAGAA
Hydrochloric Acid SCHEMBL5853525 0.88 HPGD (0.40) GAA
Hydrochloric Acid SCHEMBL5854022 0.85 KCNK3 (0.34) ITGB1ITGA4LMNAGAA
Hydrochloric Acid SCHEMBL5853650 0.84 SMN1; SMN2 (0.33) LMNAGAA
Hydrochloric Acid SCHEMBL5853600 0.83 SMN1; SMN2 (0.32)
Hydrochloric Acid SCHEMBL6851210 0.82 POLB (0.35) LMNAGAA
Hydrochloric Acid SCHEMBL5854560 0.82 NR1H4 (0.40) NR1H4LMNAGAARXRARXRB
Hydrochloric Acid SCHEMBL5855617 0.82 NAPRT (0.30)
Hydrochloric Acid SCHEMBL5854993 0.81 L3MBTL1 (0.34) ITGB1ITGA4
Hydrochloric Acid SCHEMBL5854430 0.81 POLB (0.36) GAA

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