SCHEMBL7554541

SCHEMBL7554541

NC(=O)CCCCCCCCCCC[O]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
SOAT1 P35610 2/20 0.44
MEN1 O00255 2/20 0.44
FAAH O00519 1/20 0.44
LMNA P02545 4/20 0.42
KDM4E B2RXH2 3/20 0.42
PMP22 Q01453 3/20 0.42
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 2/20 0.42
BLM P54132 2/20 0.42
GMNN O75496 1/20 0.42
USP2 O75604 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL7554522 1.00 KMT2A (0.44) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL97765 1.00
SCHEMBL95429 1.00 KMT2A (0.44) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL7557228 1.00 KMT2A (0.44) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL7552812 1.00 KMT2A (0.44) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL96091 0.97
SCHEMBL94652 0.87
SCHEMBL25288050 0.87 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL517606 0.87 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19
SCHEMBL25293705 0.87 KMT2A (0.52) KMT2ATP53CYP1A2CYP3A4CYP2C19

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
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP disclosed