SCHEMBL10643236

SCHEMBL10643236

CCCCc1ccccc1C=NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
LIPG Q9Y5X9 1/20 0.43
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.42
USP2 O75604 2/20 0.42
ALDH1A1 P00352 2/20 0.42
FGF23 Q9GZV9 1/20 0.40
MAPK1 P28482 2/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
APAF1 O14727 1/20 0.38
HSP90AA1 P07900 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL27164184 0.95 LIPG (0.50) CYP3A4CYP2D6CYP2C9LIPGHPGD
SCHEMBL9717717 0.93 LIPG (0.53) CYP3A4CYP2D6CYP2C9LIPGMAPK1
SCHEMBL7984518 0.93 LIPG (0.53) CYP3A4CYP2D6CYP2C9LIPGMAPK1
SCHEMBL9717720 0.93 LIPG (0.53) CYP3A4CYP2D6CYP2C9LIPGMAPK1
SCHEMBL14466202 0.87 HPGD (0.45) CYP3A4CYP2D6CYP2C9LIPGHPGD
SCHEMBL27796003 0.85 ALOX12 (0.49) CYP3A4CYP2D6CYP2C9MEN1KMT2A
SCHEMBL2161080 0.81 USP2 (0.47) CYP3A4CYP2D6CYP2C9HPGDLMNA
SCHEMBL10655491 0.81 USP2 (0.47) CYP3A4CYP2D6CYP2C9HPGDLMNA
SCHEMBL2161081 0.81 USP2 (0.47) CYP3A4CYP2D6CYP2C9HPGDLMNA
SCHEMBL5072960 0.79 ALOX5 (0.51) CYP3A4LIPGTSHRHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4739118-A Process for the preparation of hydroxybenzaldoxime O-ethers BAYER AKTIENGESELLSCHAFT (DE) 1988-04-19 US disclosed
EP-0218123-A1 Process for the preparation of hydroxy-benzaldoxime-O-ethers BAYER AG (DE) 1987-04-15 EP disclosed