SCHEMBL21883669

SCHEMBL21883669

CCC(C)(CC)OC(=O)COc1c2ccccc2c(OCC(=O)OC)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 3/20 0.37
PPARD Q03181 1/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL30594131 0.84 MMP1 (0.49) MMP1MMP9MMP8PSEN1PSEN2
SCHEMBL21883673 0.84 MMP1 (0.49) MMP1MMP9MMP8PSEN1PSEN2
SCHEMBL21883674 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883668 0.78 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883681 0.72 CASP3 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21883682 0.70 MAPT (0.59) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24533746 0.70 ALOX15 (0.46) SMN1; SMN2KDM4EKMT2AMAPTCYP1A2
SCHEMBL21883680 0.69 ALDH1A1 (0.49) SMN1; SMN2KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL30594155 0.69 ALDH1A1 (0.49) SMN1; SMN2KDM4EMAPTALDH1A1L3MBTL1
SCHEMBL10506317 0.67 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EKMT2APPARDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020054116-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed
WO-2020054874-A1 PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-03-19 WO disclosed