SCHEMBL7602880

SCHEMBL7602880

CCCOc1c(OC)cc(C)c(C(=O)c2c(OC)ccc(Cl)c2C)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 7/20 0.36
L3MBTL1 Q9Y468 5/20 0.36
HPGD P15428 5/20 0.36
RAB9A P51151 2/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.36
FASN P49327 1/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
GAA P10253 2/20 0.35
HTT P42858 1/20 0.35
POLB P06746 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
ALOX12 P18054 2/20 0.35
MAPK1 P28482 2/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 2/20 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
SCHEMBL6740158 0.90 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL6743080 0.81 PDE4D (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL7525724 0.80 MAPT (0.41) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL3767546 0.80 TOP1 (0.40) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6740740 0.78 MEN1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1HPGDRAB9A
SCHEMBL7524397 0.76 TUBB4A (0.38) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL6149687 0.76 RAB9A (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL5610704 0.73 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL1850970 0.72 MAPT (0.39) ALDH1A1KDM4EMAPTHPGDHSD17B10
SCHEMBL7598060 0.72 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTL3MBTL1

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-20020155518-A1 Method of detecting compounds that control fungal diseases via effects on sporulation BASF AKTIENGESELLSCHAFT (DE) 2002-10-24 US disclosed