SCHEMBL5010872

SCHEMBL5010872

CCCCCCCCc1c(CCCCCCCC)c(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
CETP P11597 1/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 1/20 0.40
NCOA2 Q15596 1/20 0.40
NCOA1 Q15788 1/20 0.40
GCGR P47871 2/20 0.40
TLR8 Q9NR97 2/20 0.39
NR5A2 O00482 1/20 0.38
NR5A1 Q13285 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL5014187 0.90 HSD11B1 (0.39) HSD11B1CETPCNR1CNR2SMN1; SMN2
SCHEMBL5012580 0.83 CYP2C9 (0.45) HSD11B1CETPCNR1CNR2MAPK1
SCHEMBL5012015 0.83 CYP2C9 (0.45) HSD11B1CETPCNR1CNR2MAPK1
SCHEMBL5012557 0.79 PTGES (0.49) ALDH1A1CYP2C9HTT
SCHEMBL12270327 0.79 CNR1 (0.42) HSD11B1CETPCNR1CNR2SMN1; SMN2
SCHEMBL5136270 0.78 RAB9A (0.46) HSD11B1SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL27628461 0.77 HSD11B1 (0.47) HSD11B1CETPCNR1CNR2SMN1; SMN2
SCHEMBL5012020 0.76 ALDH1A1 (0.46) SMN1; SMN2MAPK1KDM4EALDH1A1HPGD
Toluene SCHEMBL17008152 0.75 LMNA (0.50) HSD11B1TLR8HTTTSHR
SCHEMBL445355 0.74 ALDH1A1 (0.48) SMN1; SMN2MAPK1KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389626-B1 Aromatic copolymers of pyrroles and an electroluminescent element using the same KOREA INST SCI & TECH (KR) 2008-12-31 EP disclosed
US-6780950-B2 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-08-24 US disclosed
US-20040034189-A1 Pyrrole compounds, polymers thereof and EL element using the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2004-02-19 US disclosed
EP-1389626-A1 Aromatic copolymers of pyrroles and an electroluminescent element using the same Korea Institute of Science and Technology (KR) 2004-02-18 EP disclosed