SCHEMBL8480800

SCHEMBL8480800

CCc1[c]c(-c2ccccc2)c(-c2ccccc2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.35
KDM4E B2RXH2 5/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
RCE1 Q9Y256 1/20 0.34
DHFR P00374 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
HTT P42858 1/20 0.32
GAA P10253 3/20 0.32
MAPT P10636 4/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8479476 0.86 KDM4E (0.36) ACHEKDM4ERCE1DHFRSMN1; SMN2
SCHEMBL8480278 0.76 ACHE (0.38) ACHEKDM4EPTGS1PTGS2SMN1; SMN2
SCHEMBL8479044 0.75 GCGR (0.40) KDM4EPTGS1PTGS2DHFRHEXA
SCHEMBL8477832 0.75 TP53 (0.34) KDM4EPTGS1PTGS2DHFRHEXA
SCHEMBL8477631 0.75 PDE4B (0.42) KDM4EPTGS1PTGS2DHFRHEXA
SCHEMBL8474843 0.72 KDM4E (0.39) ACHEKDM4EPTGS2SMN1; SMN2MEN1
SCHEMBL8482098 0.72 PDE4B (0.56) KDM4ERCE1ALDH1A1GAAMAPT
SCHEMBL8478736 0.72 PTGS1 (0.33) KDM4EPTGS1PTGS2ALDH1A1HPGD
SCHEMBL8478725 0.71 TP53 (0.35) ACHEKDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8474890 0.71 PDE4B (0.54) KDM4ERCE1ALDH1A1GAAMAPT

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-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed