SCHEMBL17868906

SCHEMBL17868906

C=C(C)C(=O)OC1(C)CCCCC1.C=C(C)C(=O)OCC=Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 15/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
CACNA1H O95180 1/20 0.35
NR3C1 P04150 1/20 0.35

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 0.84 CACNA1B (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL3468078 0.84 CACNA1B (0.50) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL75626 0.84 CACNA1B (0.50) CACNA1BMMP1MMP2MMP9MMP12
Methacrylic Acid SCHEMBL20574356 0.81 CACNA1B (0.48) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL7088233 0.76 FOS (0.40) MMP1MMP2MMP9MAPTALDH1A1
SCHEMBL8608538 0.75 TDP1 (0.45) CACNA1BMMP1MMP2MMP9MMP12
SCHEMBL685576 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL1832545 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL28137014 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ACYP19A1
SCHEMBL6912158 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MEN1KMT2ACYP19A1

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
US-10919229-B2 Polymeric material for three-dimensional printing KIMBERLY-CLARK WORLDWIDE, INC. (US) 2021-02-16 US disclosed
US-20160185050-A1 Polymeric Material for Three-Dimensional Printing KIMBERLY-CLARK WORDLWIDE, INC. 2016-06-30 US disclosed