SCHEMBL6830737

SCHEMBL6830737

CCCc1ccc(-c2c3ccccc3c(-c3ccc(CCC)cc3)c3cc(Cl)ccc23)cc1.CCc1ccc(-c2c3ccccc3c(-c3ccc(CC)cc3)c3cc(Cl)ccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.40
CSF1R P07333 2/20 0.39
KIT P10721 1/20 0.39
FLT3 P36888 1/20 0.39
MAPK8 P45983 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL6829651 0.96 DPP4 (0.42) DPP4MAPK8FABP3FABP4FABP5
SCHEMBL6829548 0.93 DPP4 (0.43) DPP4CSF1RKITFLT3MAPK8
SCHEMBL6830669 0.87 CTSV (0.45) DPP4MAPK8CNR2CTSVCTSL
SCHEMBL5418235 0.81 CTSV (0.46) DPP4PSEN1PSEN2APH1BNCSTN
SCHEMBL5843363 0.75 ACHE (0.44) DPP4CSF1RFABP3FABP4KDM4E
SCHEMBL3720668 0.74 PDE10A (0.42) NPSR1KDM4EALDH1A1GAATP53
SCHEMBL29416110 0.74 ESR1 (0.53) DPP4CSF1RFLT3KDM4EALDH1A1
SCHEMBL574096 0.74 ESR1 (0.53) DPP4CSF1RFLT3KDM4EALDH1A1
SCHEMBL30662419 0.74 TP53 (0.54) TP53CTSVCTSL
SCHEMBL428140 0.74 MAPT (0.44) DPP4KDM4EALDH1A1GAATP53

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-6740263-B2 EMISISON OF BLUE LIGHT Yeom, Myung-Sook (KR) 2004-05-25 US claimed