SCHEMBL29196319

SCHEMBL29196319

CONCc1ccc(OC(F)F)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PDE4A P27815 1/20 0.43
MAPK1 P28482 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL296312 0.86 HTR7 (0.53) ALDH1A1KMT2AMEN1CA2POLB
SCHEMBL10428549 0.85 CA2 (0.61) ALDH1A1KMT2AMEN1CA2POLB
SCHEMBL13111719 0.80 CA2 (0.50) ALDH1A1KMT2ACA2POLBKDM4E
SCHEMBL6353922 0.79 CA2 (0.48) ALDH1A1KMT2ACA2POLBKDM4E
SCHEMBL5024938 0.79 TTR (0.55) ALDH1A1KMT2AMEN1CA2POLB
SCHEMBL31681723 0.79 CA2 (0.48) ALDH1A1KMT2ACA2POLBKDM4E
SCHEMBL31681724 0.79 TTR (0.55) ALDH1A1KMT2AMEN1CA2POLB
SCHEMBL5026284 0.79 CA2 (0.48) ALDH1A1KMT2ACA2POLBKDM4E
SCHEMBL29196369 0.77 SMN1; SMN2 (0.44) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL1159439 0.76 ATM (0.72) KMT2AMEN1CA2POLBKDM4E

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
CN-117924277-A Oxime ether compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-26 CN disclosed