SCHEMBL5502448

SCHEMBL5502448

CCCc1cc2c(c(CCC)c1CCC)C(CCC)c1cc(-c3ccc4c(c3)Cc3cc(-c5ccc6c(c5)Cc5ccccc5-6)ccc3-4)ccc1-2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
PYGL P06737 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 1/20 0.30
CYP1A2 P05177 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
SCHEMBL6928767 0.81 NPC1 (0.41) MMP12MMP13NPC1RAB9ASLC6A2
SCHEMBL3414807 0.66 ALDH1A1 (0.63) MMP12MMP13NPC1RAB9ASLC6A2
SCHEMBL30395577 0.66 ALDH1A1 (0.63) MMP12MMP13NPC1RAB9ASLC6A2
SCHEMBL30673022 0.65 MAPT (0.46) MMP12MMP13NPC1RAB9ASLC6A2
SCHEMBL1482762 0.63 RAB9A (0.48) MMP12MMP13NPC1RAB9ASLC6A2
SCHEMBL28440412 0.63 ALDH1A1 (0.59) MMP12MMP13NPC1RAB9ASLC6A2
SCHEMBL6759445 0.62 HTR2A (0.39) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19
SCHEMBL6759443 0.62 PNMT (0.46) NPC1RAB9ASLC6A2SLC6A4ALDH1A1
SCHEMBL30747817 0.62 PNMT (0.46) NPC1RAB9ASLC6A2SLC6A4ALDH1A1
SCHEMBL1482804 0.62 MAPT (0.57) MMP12MMP13NPC1RAB9ASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425168-A4 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIV ROCHESTER (US) 2007-01-03 EP disclosed
EP-1425168-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS University of Rochester (US) 2004-06-09 EP disclosed
WO-2003008475-A2 LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS UNIVERSITY OF ROCHESTER (US) 2003-01-30 WO disclosed