SCHEMBL2596765

SCHEMBL2596765

CC(C)(C)CC(C)(C)c1cc(-c2ccccc2)c(O)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
PTPN5 P54829 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 4/20 0.35
BACE1 P56817 3/20 0.35
POLQ O75417 1/20 0.34
PLK1 P53350 1/20 0.34
IDH1 O75874 1/20 0.33

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
SCHEMBL199860 0.87 SHBG (0.47) SHBGCYP3A4SMN1; SMN2BACE1IDH1
SCHEMBL30038339 0.83 SHBG (0.41) SHBGCYP3A4SMN1; SMN2BACE1IDH1
SCHEMBL27169618 0.83 SHBG (0.41) SHBGCYP3A4SMN1; SMN2BACE1IDH1
SCHEMBL28249286 0.78 CNR1 (0.42) PTPN5CYP3A4BACE1
SCHEMBL1129606 0.78 PTPN1 (0.55) SHBG
SCHEMBL28069366 0.77 MAPK1 (0.43) PTPN5CYP3A4SMN1; SMN2BACE1
SCHEMBL8990196 0.75 SHBG (0.47) SHBGCYP3A4SMN1; SMN2IDH1
SCHEMBL29538101 0.75 CYP3A4 (0.49) SHBGCYP3A4SMN1; SMN2BACE1
SCHEMBL647965 0.75 CYP3A4 (0.49) SHBGCYP3A4SMN1; SMN2BACE1
Zinc Ion SCHEMBL7088082 0.75 PTPN1 (0.42) SHBGPTGDR2CYP3A4SMN1; SMN2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011146044-A1 PROCESS FOR SELECTIVELY POLYMERIZING ETHYLENE AND CATALYST THEREFOR DOW GLOBAL TECHNOLOGIES LLC (US) 2011-11-24 WO claimed
EP-4244280-A1 PREPARATION OF POLYOLEFIN-POLYACRYLATE BLOCK COPOLYMERS ADDITIVES FOR INCREASING SURFACE ENERGY OF POLYETHYLENE Dow Global Technologies LLC (US) 2023-09-20 EP disclosed
WO-2022103800-A1 PREPARATION OF POLYOLEFIN-POLYACRYLATE BLOCK COPOLYMERS ADDITIVES FOR INCREASING SURFACE ENERGY OF POLYETHYLENE DOW GLOBAL TECHNOLOGIES LLC (US) 2022-05-19 WO disclosed