SCHEMBL15467807

SCHEMBL15467807

CCC(C)(C)c1ccc(OCC(=O)Nc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDH1 P40925 2/20 0.60
MDH2 P40926 2/20 0.60
HIF1A Q16665 1/20 0.59
EPAS1 Q99814 1/20 0.59
MLYCD O95822 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
HCAR2 Q8TDS4 1/20 0.55
LMNA P02545 1/20 0.55
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53

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
SCHEMBL31303632 0.87 HIF1A (0.81) MDH1MDH2HIF1AEPAS1SMN1; SMN2
SCHEMBL2957387 0.87 HIF1A (0.81) MDH1MDH2HIF1AEPAS1SMN1; SMN2
SCHEMBL8795261 0.85 MDH1 (0.51) MDH1MDH2HIF1AEPAS1MLYCD
SCHEMBL9340133 0.81 SMN1; SMN2 (0.61) HIF1AEPAS1SMN1; SMN2NPC1MAPK1
SCHEMBL3498895 0.81 LMNA (0.78) MLYCDSMN1; SMN2LMNANPC1MAPK1
SCHEMBL1834517 0.81 RAB9A (0.65) SMN1; SMN2LMNANPC1RAB9AMEN1
SCHEMBL19134267 0.80 HIF1A (0.72) HIF1AEPAS1MLYCDSMN1; SMN2LMNA
SCHEMBL31503974 0.80 TRPV1 (0.70) MDH1MDH2HIF1AEPAS1SMN1; SMN2
SCHEMBL7513074 0.80 KMT2A (0.75) HIF1AEPAS1SMN1; SMN2LMNANPC1
SCHEMBL10537304 0.80 MDH1 (0.65) MDH1MDH2HIF1AEPAS1MLYCD

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
US-20140044684-A1 Methods And Compositions For Regulating Gene Expression CHILDREN'S MEDICAL CENTER CORPORATION (US) 2014-02-13 US claimed