SCHEMBL28080402

SCHEMBL28080402

CCCCOc1ccc([PH](=O)C(=O)c2c(C)cc(C)cc2C)c(OCCCC)c1.Cc1cc(C)c(C(=O)P(=O)(c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
ITGB1 P05556 2/20 0.39
ITGA4 P13612 1/20 0.39
HIF1A Q16665 1/20 0.38
PTPN11 Q06124 1/20 0.36
PPARG P37231 4/20 0.36
PTGES O14684 3/20 0.36
ALOX5 P09917 3/20 0.36
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KAT6A Q92794 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL27905569 0.87 ITGB1 (0.43) MMP9MMP13ADAM17ITGB1ITGA4
SCHEMBL146537 0.85 ITGB1 (0.46) ITGB1ITGA4PTPN11TSHRTHRB
SCHEMBL7622700 0.81 ITGB1 (0.53) MMP9MMP13ADAM17ITGB1ITGA4
SCHEMBL28049123 0.79 PLA2G4B (0.43) PTPN11PPARGPTGESALOX5PPARA
SCHEMBL7624611 0.76 ITGB1 (0.55) ITGB1ITGA4TSHRTHRB
SCHEMBL28108866 0.75 LMNA (0.38) MEN1KMT2A
SCHEMBL444479 0.73 ITGB1 (0.46) MMP9MMP13ADAM17ITGB1ITGA4
SCHEMBL29389044 0.73 ITGB1 (0.46) MMP9MMP13ADAM17ITGB1ITGA4
SCHEMBL7618250 0.72 FAAH (0.47) PTPN11NR1H4TSHR
SCHEMBL27651 0.72 LMNA (0.43) MAPTMEN1KMT2A

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
CN-105802524-A Pressure-sensitive adhesive sheet, method of using pressure-sensitive adhesive sheet, and precision electronic device 日东电工株式会社 2016-07-27 CN disclosed