SCHEMBL3468078

SCHEMBL3468078

C=C(C)C(=O)OC/C=C\c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 9/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP12 P39900 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IDO1 P14902 2/20 0.47
PAM P19021 1/20 0.47
GLA P06280 1/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.43

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
SCHEMBL75625 1.00 CACNA1B (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL75626 1.00 CACNA1B (0.50) CACNA1BMMP1MMP2MMP9MMP12
Methacrylic Acid SCHEMBL20574356 0.97 CACNA1B (0.48) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL8608538 0.89 TDP1 (0.45) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL7778109 0.87 CACNA1B (0.41) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL23882016 0.87 MMP1 (0.51) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL20539359 0.87 MMP1 (0.51) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL9762368 0.86 IDO1 (0.57) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL482394 0.86 CA12 (0.46) MMP2MMP9TDP1ALDH1A1MAPT
SCHEMBL10961857 0.85 TDP1 (0.49) CACNA1BMMP1MMP2MMP9MMP12

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
WO-2010078049-A1 FIBERS AND FIBER-BASED SUPERSTRUCTURES, THEIR PREPARATION AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-07-08 WO disclosed