SCHEMBL16099079

SCHEMBL16099079

CC(F)Cn1c2ccccc2c2cc(CC=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
RORC P51449 1/20 0.43
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 2/20 0.41
PTGER4 P35408 1/20 0.40
DNM1 Q05193 5/20 0.40
NPY5R Q15761 1/20 0.40
FDFT1 P37268 1/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6351807 0.81 POLB (0.67) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL25445139 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16099248 0.81 POLB (0.51) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL4726731 0.80 KMT2A (0.54) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16093698 0.79 ALDH1A1 (0.58) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL16099076 0.76 ALDH1A1 (0.80) KDM4EALDH1A1HPGDMAPTLMNA
SCHEMBL16099545 0.76 MAPT (0.51) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL2800147 0.74 ALDH1A1 (0.51) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL8651388 0.73 PTGER4 (0.63) KDM4EALDH1A1HPGDMAPTPOLB
SCHEMBL23318585 0.71 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTPOLB

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
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO disclosed