SCHEMBL7532458

SCHEMBL7532458

CC1=CC(C)(C)CC=C1Br

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GLI1 P08151 1/20 0.31
CYP3A4 P08684 1/20 0.31
GLI2 P10070 1/20 0.31

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
SCHEMBL19189072 0.77 CYP3A4 (0.33) GLI1CYP3A4GLI2
SCHEMBL20261218 0.71 GLI1 (0.31) GLI1CYP3A4GLI2
SCHEMBL8824466 0.67 CYP3A4 (0.31) GLI1CYP3A4GLI2
SCHEMBL1747863 0.67 GLI1 (0.31) GLI1CYP3A4GLI2
SCHEMBL2407991 0.65
SCHEMBL18977909 0.64 EEF2K (0.30)
SCHEMBL18976848 0.63
SCHEMBL18403449 0.60
SCHEMBL16013725 0.59
SCHEMBL17484864 0.59

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-2002020448-A1 PROCESS FOR THE HYDROFORMYLATION OF ALKENES DYNEA CHEMICALS OY (FI) 2002-03-14 WO disclosed