SCHEMBL8169296

SCHEMBL8169296

CC(C)c1cc(C(C)C)c(Br)c(C(C)C)c1.[Ar]

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.48
GABRB2 P47870 2/20 0.48
FABP4 P15090 5/20 0.46
FABP3 P05413 2/20 0.46
FABP5 Q01469 1/20 0.45
GABRB1 P18505 3/20 0.41
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SOAT2 O75908 1/20 0.30
MYC P01106 1/20 0.30
SOAT1 P35610 1/20 0.30
MAP2K3 P46734 1/20 0.30
LMNA P02545 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
SCHEMBL339679 0.97 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL7764283 0.95 GABRA1 (0.48) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20681258 0.78 GABRA1 (0.64) GABRA1GABRB2FABP4FABP3GABRB1
SCHEMBL11399190 0.77 GABRA1 (0.42) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL14156687 0.77 GABRA1 (0.38) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL31517134 0.76 GABRA1 (0.42) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL3440745 0.76 GABRA1 (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL28454010 0.74 GABRA1 (0.58) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL19507083 0.74 GABRA1 (0.58) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL4712954 0.74 GABRA1 (0.52) GABRA1GABRB2GABRB1CA1CA2

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
WO-2000064841-A2 PHOSPHINE LIGANDS, METAL COMPLEXES AND COMPOSITIONS THEREOF FOR CROSS-COUPLING REACTIONS SYMYX TECHNOLOGIES, INC. (US) 2000-11-02 WO disclosed