Chlorobutanol

Chlorobutanol

SCHEMBL3099727

CC(C)(O)C(Cl)(Cl)Cl.[Cl-].[Na+]

nearest known ligand 0.83

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Chlorobutanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.83
TSHR P16473 1/20 0.39
LMNA P02545 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
Chlorobutanol SCHEMBL28216046 0.92
Chlorobutanol SCHEMBL5719643 0.91 THRB (1.00) THRBTSHRLMNA
Chlorobutanol SCHEMBL1040 0.91
Chlorobutanol SCHEMBL27496467 0.87
Chlorobutanol SCHEMBL466638 0.87 THRB (0.91) THRBTSHRLMNA
Chlorobutanol SCHEMBL27945422 0.87
Chlorobutanol SCHEMBL7670584 0.87 THRB (0.91) THRBTSHRLMNA
Chlorobutanol SCHEMBL9242282 0.87
Chlorobutanol SCHEMBL11215994 0.87 THRB (0.91) THRBTSHRLMNA
Chlorobutanol SCHEMBL1043683 0.87

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803906-B2 Composition comprising an angiogenesis related protein GENE SIGNAL INTERNATIONAL SA (CH) 2010-09-28 US claimed