SCHEMBL9080666

SCHEMBL9080666

CC(C)c1cccc(C(C)C)c1Br.CC(C)c1cccc(C(C)C)c1C(C)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRB1 P18505 2/20 0.46
LMNA P02545 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL8495467 0.89 GABRA1 (0.56) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL2202295 0.84 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL21150479 0.80 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL8918987 0.77 LMNA (0.46) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL20315178 0.76 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL31634517 0.74 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL16953290 0.74 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL3604233 0.74 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL29661785 0.73 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2GABRB1
SCHEMBL6679470 0.73 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2GABRB1

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
EP-0698010-A1 N-ACYL SULFAMIC ACID ESTERS (OR THIOESTERS), N-ACYL SULFONAMIDES, AND N-SULFONYL CARBAMIC ACID ESTERS (OR THIOESTERS) AS HYPERCHOLESTEROLEMIC AGENTS WARNER-LAMBERT COMPANY (US) 1996-02-28 EP disclosed