SCHEMBL4944868

SCHEMBL4944868

Cc1c(Br)cc(C(C)C)c(O)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.54
GABRB1 P18505 5/20 0.54
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
GABRB2 P47870 3/20 0.43
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
GSR P00390 1/20 0.37
LMNA P02545 3/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2B P41595 2/20 0.37
FAAH O00519 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GABRG2 P18507 1/20 0.37
PTGS1 P23219 1/20 0.37
HTR2C P28335 1/20 0.37
GABRB3 P28472 1/20 0.37

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
SCHEMBL12192916 0.80 GABRA1 (0.50) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL18262866 0.80 GABRA1 (0.46) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL12869000 0.78 GABRA1 (0.52) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL2788418 0.76 THRA (0.47) GABRA1GABRB1CA1CA2GABRB2
Tribromometacresol SCHEMBL30255705 0.75 CA1 (0.52) GABRA1GABRB1CA1CA2GABRB2
Tribromometacresol SCHEMBL467297 0.75 CA1 (0.52) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL18272114 0.74 GABRA1 (0.44) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL19003619 0.73 PTPN1 (0.44) CA1CA2LMNACYP1A2CYP3A4
SCHEMBL2051242 0.73 CA1 (0.42) GABRA1GABRB1CA1CA2GABRB2
SCHEMBL5587079 0.72 GABRA1 (0.56) GABRA1GABRB1CA1CA2GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070056901-A1 Solvent-resistant membranes from solvent-inert polyimides and polyketones GENERAL ELECTRIC COMPANY 2007-03-15 US claimed
US-7439291-B2 Solvent-resistant membranes from solvent-inert polyimides and polyketones GENERAL ELECTRIC COMPANY (US) 2008-10-21 US disclosed
US-20070056901-A1 Solvent-resistant membranes from solvent-inert polyimides and polyketones GENERAL ELECTRIC COMPANY 2007-03-15 US disclosed
US-20070060688-A1 Solvent-resistant membranes from solvent-inert polyimides and polyketones GENERAL ELECTRIC COMPANY 2007-03-15 US disclosed