SCHEMBL4830174

SCHEMBL4830174

CCC(=O)Cc1c(C)ccc(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD11B1 P28845 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
ACHE P22303 2/20 0.31
NQO1 P15559 1/20 0.31
IAPP P10997 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCL1 Q07820 1/20 0.31
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL1258869 0.78 SMN1; SMN2 (0.36) SMN1; SMN2CYP1A2CYP3A4CYP2C19SLC22A12
SCHEMBL1258872 0.78 CYP1A2 (0.50) SMN1; SMN2KDM4EHSD17B10GAACYP1A2
SCHEMBL24440124 0.76 GAA (0.43) TDP1SMN1; SMN2KDM4EHSD17B10GAA
SCHEMBL10999349 0.72 TSHR (0.41) TDP1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27035746 0.72 ALDH1A1 (0.37) SMN1; SMN2KDM4ECYP1A2CYP3A4CYP2C19
Ethylene SCHEMBL7414602 0.72 CD44 (0.39) TDP1SMN1; SMN2KDM4EHSD17B10GAA
Propionic Acid SCHEMBL29018259 0.70 FFAR3 (0.53) SMN1; SMN2HSD17B10GAACYP1A2CYP3A4
SCHEMBL14250470 0.69 LMNA (0.44) SMN1; SMN2KDM4EGAAIAPPALDH1A1
SCHEMBL3456090 0.69 NOS2 (0.43) KDM4ECYP1A2TDP2NSD2HSP90AA1
SCHEMBL12214127 0.69 KDM4E (0.42) SMN1; SMN2KDM4EHSD17B10GAACYP1A2

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-7404975-B2 Moringa crude extracts and their derived fractions with antifungal activities ACADEMIA SINICA (TW) 2008-07-29 US disclosed
US-20070264366-A1 Moringa crude extracts and their derived fractions with antifungal activities ACADEMIA SINICA (TW) 2007-11-15 US disclosed