SCHEMBL3125816

SCHEMBL3125816

CCOc1cc(C(Nc2cccc(C(=O)O)c2)c2cccc(F)c2)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
CREBBP Q92793 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.42
MITF O75030 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL3123717 0.77 TSHR (0.47) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL3120645 0.75 DGAT2 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2909821 0.74 LMNA (0.45) LMNASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3131347 0.72 PDE4A (0.49) SMN1; SMN2NPC1RAB9AMAPTALDH1A1
SCHEMBL2907010 0.71 NPC1 (0.45) LMNAMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2908738 0.70 RCE1 (0.42) LMNATSHRSMN1; SMN2NPC1RAB9A
SCHEMBL3612256 0.70 TSHR (0.87) LMNATSHRRAB9AL3MBTL1POLB
SCHEMBL1962883 0.70 TSHR (0.62) TSHRL3MBTL1MRGPRX4POLBPPARA
SCHEMBL19279467 0.70 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AMAPTMRGPRX4
SCHEMBL2909625 0.69 TP53 (0.47) LMNAMEN1KMT2ATSHRSMN1; SMN2

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed