SCHEMBL27726508

SCHEMBL27726508

CC(C)NC(C)C.CCc1cccc2oc(-c3ccccc3)c(C=O)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DDR2 Q16832 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ ABCB1 P08183 4/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ ADORA3 P0DMS8 7/20 0.35
▸ ABCG2 Q9UNQ0 2/20 0.35
▸ CA12 O43570 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
SCHEMBL28031955 0.81 ELANE (0.36) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL548262 0.74 MEN1 (0.47) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL28912629 0.74 KDM4E (0.47) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL27631295 0.73 CYP3A4 (0.68) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL18079005 0.70 DDR2 (0.66) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL548380 0.69 DDR2 (0.42) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL28031917 0.68 BCL2 (0.39) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL548145 0.67 MEN1 (0.45) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL547708 0.66 MEN1 (0.41) MEN1KMT2ACYP3A4KDM4ELMNA
SCHEMBL11194764 0.65 EDNRA (0.43) MEN1KMT2AKDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101891728-B Scutellarin aglycone derivative and preparation method and application thereof UNIV NANJING CHINESE MEDICINE 2012-05-23 — — CN disclosed
CN-101337956-B Scutellarein carbamate derivates, preparation method and application thereof UNIV SICHUAN 2011-03-16 — — CN disclosed
CN-101891728-A Scutellarein derivative as well as preparation method and application thereof UNIV NANJING CHINESE MEDICINE 2010-11-24 — — CN disclosed
CN-101337956-A Scutellarein carbamate derivates, preparation method and application thereof UNIV SICHUAN (CN) 2009-01-07 — — CN disclosed
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