SCHEMBL8380625

SCHEMBL8380625

COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
HSD17B10 Q99714 3/20 0.78
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 2/20 0.71
CYP2C19 P33261 2/20 0.71
MAPT P10636 10/20 0.65
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
SMN1; SMN2 Q16637 5/20 0.62
HTT P42858 2/20 0.62
TSHR P16473 3/20 0.61
HPGD P15428 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
KDM4E B2RXH2 2/20 0.58
LMNA P02545 1/20 0.55
CYP2D6 P10635 1/20 0.54
POLB P06746 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54

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
SCHEMBL31567888 0.90 ALDH1A1 (0.81) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL31567862 0.89 ALDH1A1 (0.80) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL31567873 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL31567857 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8381158 0.88 ALDH1A1 (0.78) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8394358 0.88 ALDH1A1 (1.00) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL18230644 0.87 ALDH1A1 (0.80) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL31567878 0.86 ALDH1A1 (0.74) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8380783 0.86 ALDH1A1 (0.86) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9
SCHEMBL8383359 0.85 ALDH1A1 (0.73) ALDH1A1HSD17B10CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0777663-B1 USE OF SUBSTITUTED 6-AMINO-4H-PYRANS BAYER AG (DE) 1999-05-26 EP claimed
US-5874462-A Use of substituted 6-amino-4H-pyrans BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US claimed
CN-119874654-A Pyran compound as plant immune activator and application thereof 华东理工大学 2025-04-25 CN disclosed