SCHEMBL3346375

SCHEMBL3346375

Cc1cc2c(c3ccc4ccccc4c13)CCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 5/20 0.51
MAPT P10636 3/20 0.51
LCK P06239 1/20 0.51
FYN P06241 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
ACHE P22303 1/20 0.51
SLC6A2 P23975 1/20 0.51
AHR P35869 1/20 0.51
HPGD P15428 6/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
GLA P06280 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
TYMS P04818 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL9576677 0.78 HPRT1 (0.50) ALDH1A1CYP1A2MAPTLCKFYN
SCHEMBL8359592 0.76 HPGD (0.51) ALDH1A1CYP1A2MAPTHPGDHSD17B10
SCHEMBL30286397 0.73 ALDH1A1 (0.55) ALDH1A1CYP1A2MAPTLCKFYN
SCHEMBL597682 0.73 ALDH1A1 (0.55) ALDH1A1CYP1A2MAPTLCKFYN
SCHEMBL31235725 0.72 HPRT1 (0.56) ALDH1A1CYP1A2MAPTLCKFYN
SCHEMBL27976174 0.72 HPRT1 (0.47) ALDH1A1CYP1A2MAPTLCKFYN
SCHEMBL27463276 0.72 HPRT1 (0.47) ALDH1A1CYP1A2MAPTLCKFYN
SCHEMBL531158 0.70 CYP1A2 (0.42) ALDH1A1CYP1A2MAPTLCKFYN
SCHEMBL9181184 0.69 KDM4E (0.49) ALDH1A1CYP1A2MAPTHPGDHSD17B10
SCHEMBL7413330 0.69 BRD4 (0.48) ALDH1A1CYP1A2MAPTHPGDHSD17B10

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-20100162416-A1 Multi-stage stem cell carcinogenesis STEMLIFELINE, INC. (US) 2010-06-24 US disclosed
WO-2010037134-A2 MULTI-STAGE STEM CELL CARCINOGENESIS STEMLIFELINE, INC. (US) 2010-04-01 WO disclosed