SCHEMBL8885239

SCHEMBL8885239

CC(C)(C)c1ccc(NC(=O)c2ccc3c4cccc5cccc(c6ccc(C(N)=O)c2c63)c54)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 1/20 0.47
▸ CFTR P13569 1/20 0.46
▸ KIF11 P52732 1/20 0.43
▸ RAB9A P51151 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ PLG P00747 4/20 0.42
▸ KLK1 P06870 4/20 0.42
▸ KLK6 Q92876 4/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL8885243 0.87 DHPS (0.55) DHPSCFTRRAB9ANPC1HDAC3
SCHEMBL16538046 0.78 MEN1 (0.51) RAB9ANPC1PLGKLK1KLK6
SCHEMBL8014873 0.78 KDM4E (0.46) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL6757866 0.78 KDM4E (0.46) SMN1; SMN2GAAMAPTMEN1KMT2A
SCHEMBL3261199 0.77 HDAC8 (0.47) HDAC3HDAC8HDAC6SMN1; SMN2MAPT
SCHEMBL1643719 0.77 MAPK14 (0.45) DHPSCFTRRAB9ASMN1; SMN2TRPV1
SCHEMBL28848988 0.75 KMT2A (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL9284694 0.75 CFTR (0.63) DHPSCFTRRAB9ANPC1HDAC3
SCHEMBL8892902 0.74 BTK (0.38) RAB9ANPC1PLGKLK1KLK6
SCHEMBL8878909 0.73 MAPK14 (0.42) RAB9ASMN1; SMN2NPSR1MEN1KMT2A

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-5650513-A Process for preparing perylene-3,4-dicarboxylic acid derivatives, the derivatives thus prepared and their use CIBA-GEIGY CORPORATION (US) 1997-07-22 — — US disclosed
Send feedback