SCHEMBL9751149

SCHEMBL9751149

C=CCC(C)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
CA4 P22748 1/20 0.34
RIPK1 Q13546 1/20 0.34
PPARG P37231 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 1/20 0.33
KCNA3 P22001 1/20 0.32
LTA4H P09960 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
SCHEMBL1811048 0.81 MAPT (0.47) MAPTTSHRALDH1A1HTTATM
SCHEMBL15147895 0.80 MEN1 (0.33) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL29226500 0.79 TSHR (0.41) MAPTTSHRALDH1A1HTTATM
SCHEMBL11777381 0.78 MAPT (0.41) MAPTTSHRALDH1A1HTTATM
SCHEMBL11115586 0.77 PPARG (0.50) MAPTTSHRALDH1A1HTTCYP3A4
SCHEMBL9244606 0.74 TSHR (0.42) MAPTTSHRALDH1A1HTTCYP3A4
SCHEMBL10529703 0.74 TSHR (0.42) MAPTTSHRALDH1A1HTTCYP3A4
SCHEMBL10449497 0.74 MAPT (0.41) MAPTTSHRALDH1A1HTTATM
SCHEMBL4055171 0.74 ALDH1A1 (0.39) MAPTTSHRALDH1A1HTTATM
Sulfuric Acid SCHEMBL11626920 0.74 MAPT (0.42) MAPTTSHRALDH1A1HTTCYP2C19

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
EP-0388445-A4 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS 1991-07-03 EP disclosed
EP-0388445-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-09-26 EP disclosed
WO-1990000165-A1 FLAME RETARDANT HIGHER ALKYL BISPHENOXY ALKANES AND THEIR APPLICATION TO ABS POLYMER SYSTEMS GREAT LAKES CHEMICAL CORPORATION (US) 1990-01-11 WO disclosed
US-4891449-A FIREPROOFING PLASTICS GREAT LAKES CHEMICAL CORPORATION (US) 1990-01-02 US disclosed