SCHEMBL4603027

SCHEMBL4603027

CCC(c1cc(Br)c(O)c(C(C)C)c1)c1cc(Br)c(O)c(C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.47
GABRB1 P18505 5/20 0.47
GABRB2 P47870 3/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GSR P00390 1/20 0.41
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 1/20 0.33
TYR P14679 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 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
SCHEMBL15844791 0.87 CA1 (0.54) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL2420908 0.85 TSHR (0.44) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL6682827 0.83 GABRA1 (0.63) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL16785950 0.79 GABRA1 (0.52) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL5077373 0.79 GABRA1 (0.47) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL4782428 0.78 ESR1 (0.35) GABRA1GABRB1GABRB2CA1CA2
Propane SCHEMBL28229965 0.77 GABRA1 (0.46) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL8376286 0.76 HSD17B10 (0.42) THRATHRBCYP1A2CYP3A4TSHR
SCHEMBL4644161 0.72 GABRA1 (0.78) GABRA1GABRB1GABRB2CA1CA2
SCHEMBL15539232 0.72 GABRA1 (0.44) GABRA1GABRB1GABRB2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414276-A1 INHERENTLY HEALING POLYCARBONATE RESINS SABIC Global Technologies B.V. (NL) 2018-12-19 EP disclosed
WO-2017137951-A1 INHERENTLY HEALING POLYCARBONATE RESINS SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-08-17 WO disclosed
CN-101472994-A Polycarbonate compositions and articles formed therefrom GEN ELECTRIC (NL) 2009-07-01 CN disclosed
EP-1751211-B1 METHOD FOR PREPARING A POLYCARBONATE OLIGOMER MIXTURE AT LOW TEMPERATURE FOR MANUFACTURING POLYCARBONATE GEN ELECTRIC (US) 2008-04-30 EP disclosed
CN-1383450-A Antibody molecule with specificity to human tumor necrosis factor alpha and application thereof CELLTECH R&D LTD (GB) 2002-12-04 CN disclosed