SCHEMBL28211588

SCHEMBL28211588

CCCCCCc1cc(C)c(N)c(CCCCCC)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
TYR P14679 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TLR8 Q9NR97 1/20 0.38
HTR2A P28223 2/20 0.37
SRC P12931 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
SKP2 Q13309 1/20 0.37
GPR84 Q9NQS5 1/20 0.37
PTGS2 P35354 4/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL30014752 1.00 ALOX5 (0.40) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL28110926 0.85 TYR (0.40) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL3799895 0.82 NOS2 (0.40) CYP3A4MAPTTP53ALOX15TSHR
SCHEMBL28211164 0.80 TYR (0.47) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL10430962 0.80 SKP2 (0.48) CYP3A4TP53TSHRHTTTDP1
SCHEMBL24156023 0.80 HTT (0.40) MAPTHTTSRCSKP2KDM4E
SCHEMBL28826396 0.79 MAPT (0.41) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL27671383 0.79 SKP2 (0.44) TYRCYP3A4MAPTTP53ALOX15
SCHEMBL841149 0.78 TLR8 (0.38) ALOX5TYRCYP3A4MAPTMEN1
SCHEMBL28274360 0.78 TYR (0.46) ALOX5TYRCYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745477-B Polyurethane elastomer material and preparation method thereof 江苏恒力化纤股份有限公司 2022-08-19 CN claimed
CN-112745477-A Polyurethane elastomer material and preparation method thereof 江苏恒力化纤股份有限公司 2021-05-04 CN claimed
CN-112745477-B Polyurethane elastomer material and preparation method thereof 江苏恒力化纤股份有限公司 2022-08-19 CN disclosed
CN-112745477-B Polyurethane elastomer material and preparation method thereof 江苏恒力化纤股份有限公司 2022-08-19 CN disclosed
CN-112745477-A Polyurethane elastomer material and preparation method thereof 江苏恒力化纤股份有限公司 2021-05-04 CN disclosed
CN-112745477-A Polyurethane elastomer material and preparation method thereof 江苏恒力化纤股份有限公司 2021-05-04 CN disclosed
CN-105440257-B A kind of fatigue proof polyurethane elastomeric materials of high rigidity and preparation method thereof 东莞市精伦实业有限公司 2018-04-13 CN disclosed