SCHEMBL3717153

SCHEMBL3717153

CCSc1ccc(Oc2ccc3cc(C(C)=O)ccc3n2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
ALDH1A1 P00352 7/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.40
MAPK14 Q16539 1/20 0.36
CYP2A6 P11509 1/20 0.35
PPARG P37231 1/20 0.35
CREBBP Q92793 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
GAA P10253 1/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3720271 0.86 PDE4B (0.42) PDE4BALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3717633 0.82 PDE4B (0.47) PDE4BALDH1A1KMT2AMAPK14CYP2A6
SCHEMBL3726377 0.81 ACACB (0.40)
SCHEMBL3720755 0.81 PDE4B (0.46) PDE4BALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3717155 0.80 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPK14PPARGSMN1; SMN2
SCHEMBL3726168 0.80 PDE4B (0.41) PDE4BALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3719225 0.80 PDE4B (0.46) PDE4BALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL3721868 0.79 PDE4B (0.48) PDE4BALDH1A1KMT2AMEN1MAPK14
SCHEMBL3726861 0.79 MAPT (0.32) L3MBTL1MAPK14MAPTHTTLMNA
SCHEMBL3726862 0.78 TSHR (0.36) KMT2AMEN1MAPK1MAPK14SMN1; 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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed