SCHEMBL28064653

SCHEMBL28064653

COC(=O)C(CC(C)C)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.43
MMP2 P08253 3/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
EPHX1 P07099 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MMP14 P50281 2/20 0.40
SLC6A3 Q01959 1/20 0.40
THRB P10828 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL13545056 0.83 TP53 (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL9588848 0.83 TP53 (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL12208613 0.83 TP53 (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL12401981 0.81 TP53 (0.43) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL8393584 0.81 KMT2A (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL819467 0.81 NPSR1 (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL8392635 0.81 KMT2A (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL27553127 0.81 ALDH1A1 (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL12401977 0.81 NPSR1 (0.44) SMN1; SMN2TP53MMP2CA12CA1
SCHEMBL13271016 0.81 THRB (0.42) SMN1; SMN2TP53MMP2CA12CA1

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-103502305-B Photochromic polymers ADVANCED POLYMERIK PTY LTD. (GB) 2016-04-13 CN disclosed