SCHEMBL11145408

SCHEMBL11145408

CCCSP(=O)(O)Oc1ccc2oc3ccccc3c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.54
NPC1 O15118 6/20 0.50
RAB9A P51151 5/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ACSL1 P33121 4/20 0.47
ACSL6 Q9UKU0 3/20 0.47
CASP3 P42574 2/20 0.44
SENP8 Q96LD8 2/20 0.44
SENP7 Q9BQF6 2/20 0.44
SENP6 Q9GZR1 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ACSL3 O95573 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TTR P02766 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
SCHEMBL11138388 0.84 MAOA (0.52) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL11137941 0.76 MAOA (0.62) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL8657871 0.74 ACSL1 (0.67) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL5030900 0.74 ACSL1 (0.70) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL392389 0.73 MAOA (0.70) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL30130333 0.73 MAOA (0.70) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL11141252 0.73 MAPT (0.39) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL28424879 0.72 MAOA (0.63) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL29972870 0.72 MAOA (0.63) MAOANPC1RAB9APOLBL3MBTL1
SCHEMBL394209 0.72 MAOA (1.00) MAOANPC1RAB9APOLBL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4404220-A INSECTIDES VELSICOL CHEMICAL CORPORATION (US) 1983-09-13 US disclosed
US-4299772-A INSECTICIDES VELSICOL CHEMICAL CORPORATION (US) 1981-11-10 US disclosed