SCHEMBL527315

SCHEMBL527315

CCC(C)(C)C(=O)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.37
MMP1 P03956 6/20 0.37
MMP3 P08254 6/20 0.37
MMP8 P22894 5/20 0.37
MMP9 P14780 2/20 0.37
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FDPS P14324 3/20 0.32
GRM4 Q14833 1/20 0.31
RIPK1 Q13546 1/20 0.31
CYP1A2 P05177 1/20 0.30
PKM P14618 1/20 0.30
PTK2B Q14289 1/20 0.30

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
SCHEMBL28402452 0.82 CA2 (0.33) MMP2MMP1MMP3MMP8MMP9
SCHEMBL19285768 0.77 FDPS (0.47) MMP2MMP1MMP3MMP8FDPS
SCHEMBL14954659 0.75 PPARD (0.38) CA12CA1CA2CA9
SCHEMBL19285719 0.73 GGPS1 (0.53) FDPS
SCHEMBL14954658 0.72 CA12 (0.42) CA12CA1CA2CA9RIPK1
SCHEMBL528357 0.71 LMNA (0.40) MMP2MMP1MMP3MMP8MMP9
SCHEMBL10682474 0.70 LMNA (0.40) LMNAFDPSGRM4
SCHEMBL7257418 0.69 MMP2 (0.33) MMP2MMP1MMP3MMP8MMP9
SCHEMBL2980894 0.69 MMP1 (0.34) MMP2MMP1MMP3MMP8MMP9
SCHEMBL7655070 0.69 PEPD (0.38) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170190923-A1 NEAR-INFRARED ABSORPTION COMPOSITION, CURABLE COMPOSITION, CURED FILM, NEAR-INFRARED CUT FILTER, SOLID-STATE IMAGING DEVICE, INFRARED SENSOR, CAMERA MODULE, PROCESSED COLORING AGENT, AND METHOD OF MANUFACTURING PROCESSED COLORING AGENT FUJIFILM CORPORATION (JP) 2017-07-06 US disclosed
EP-2598644-A1 ENZYMATIC ACYLATION METHOD USING AN ACYLPHOSPHONATE DONOR PCAS Biosolution (FR) 2013-06-05 EP disclosed
WO-2012013765-A1 ENZYMATIC ACYLATION METHOD USING AN ACYLPHOSPHONATE DONOR PCAS BIOSOLUTION (FR) 2012-02-02 WO disclosed