SCHEMBL4936965

SCHEMBL4936965

Cc1ccc(C2=C(c3ccc(C)cc3)C(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
ALOX15 P16050 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
PTGS2 P35354 4/20 0.47
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.42
PTGS1 P23219 1/20 0.41
ALKBH3 Q96Q83 2/20 0.40
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
CTSG P08311 1/20 0.39

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
SCHEMBL13170533 1.00 CYP2D6 (0.62) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL12890533 0.91 HPGD (0.54) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL14407362 0.91 HPGD (0.54) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL18077378 0.91 HPGD (0.54) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL13569203 0.89 HPGD (0.52) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL14421349 0.89 ALDH1A1 (0.56) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL20252717 0.87 CYP2D6 (0.50) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL16420023 0.82 ALDH1A1 (0.50) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL20252714 0.80 HTT (0.54) CYP2D6CYP2C9HPGDALOX15CYP2C19
SCHEMBL16155085 0.80 ALKBH3 (0.51) CYP2D6CYP2C9HPGDALOX15CYP2C19

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
CN-108358767-B Pentabenzyl benzene-containing difluoride monomer, preparation method and application thereof in polyaryletherketone functional film 吉林大学 2021-06-04 CN claimed
CN-108358767-B Pentabenzyl benzene-containing difluoride monomer, preparation method and application thereof in polyaryletherketone functional film 吉林大学 2021-06-04 CN disclosed
US-7417247-B2 Pentaarylcyclopentadienyl units as active units in resistive memory elements INFINEON TECHNOLOGIES, AG (DE) 2008-08-26 US disclosed
EP-1546217-B1 PENTAARYLCYCLOPENTADIENYL UNITS AS ACTIVE UNITS IN RESISTIVE MEMORY ELEMENTS QIMONDA AG (DE) 2007-11-07 EP disclosed
US-20050213413-A1 Pentaarylcyclopentadienyl units as active units in resistive memory elements POLARIS INNOVATIONS LIMITED (IE) 2005-09-29 US disclosed