SCHEMBL16358449

SCHEMBL16358449

CCC(C)(c1ccccc1)c1ccc(-n2c3ccccc3c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PPARG P37231 6/20 0.41
MAPK8 P45983 1/20 0.41
PTPN1 P18031 2/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARA Q07869 3/20 0.40
PGR P06401 2/20 0.38
RECQL P46063 1/20 0.37
PLA2G2A P14555 1/20 0.36
KMT2A Q03164 1/20 0.35
IL1R1 P14778 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL17168475 0.87 KDM4E (0.42) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL13129252 0.83 KDM4E (0.52) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL19836759 0.83 KDM4E (0.61) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL10100891 0.83 KDM4E (0.61) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL10100860 0.81 KDM4E (0.53) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL15304576 0.81 KDM4E (0.48) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL24247977 0.79 KIF11 (0.33) KDM4EATML3MBTL1ALDH1A1CYP1A2
SCHEMBL10100856 0.79 KDM4E (0.59) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL13589333 0.79 L3MBTL1 (0.65) KDM4EATML3MBTL1PPARGMAPK8
SCHEMBL10100900 0.79 L3MBTL1 (0.65) KDM4EATML3MBTL1PPARGMAPK8

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
WO-2007043354-A9 SPIROFLUORENE DERIVATIVE, MATERIAL FOR LIGHT-EMITTING ELEMENT, LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, AND ELECTRONIC DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2007-06-07 WO disclosed