SCHEMBL28407601

SCHEMBL28407601

COc1ccc(-c2cc3ccncc3o2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.53
CYP2C8 P10632 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ABCB1 P08183 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
GLA P06280 1/20 0.49
CYP3A4 P08684 1/20 0.49
THRB P10828 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.48
TP53 P04637 1/20 0.48
MDM2 Q00987 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL11672469 0.79 ABCB1 (0.65) PDE4ACYP2C8KDM4EABCB1SMN1; SMN2
SCHEMBL16011311 0.78 ABCB1 (0.66) PDE4ACYP2C8KDM4EABCB1SMN1; SMN2
SCHEMBL28409862 0.75 PDE4A (0.54) PDE4ACYP2C8KDM4EABCB1SMN1; SMN2
SCHEMBL28409481 0.75 PDE4A (0.54) PDE4ACYP2C8KDM4EABCB1SMN1; SMN2
SCHEMBL20147031 0.75 CALCRL (0.74) PDE4AABCB1MEN1KMT2AABCG2
SCHEMBL10903343 0.74 PDGFRB (0.49) PDE4ACYP2C8KDM4ESMN1; SMN2MAPT
SCHEMBL4002247 0.72 APP (0.61) PDE4ACYP2C8KDM4EABCB1SMN1; SMN2
SCHEMBL30461597 0.72 CYP2A6 (0.47) KDM4ESMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL21860285 0.71 ALOX5 (0.52) PDE4ACYP2C8KDM4EABCB1SMN1; SMN2
SCHEMBL7159656 0.70 PDGFRB (0.68) KDM4EALDH1A1HPGD

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
CN-107325067-B Mulberry octyl element M derivative of phosphodiesterase 4 inhibitor and application thereof 广州中医药大学 2020-05-12 CN claimed
CN-107325067-B Mulberry octyl element M derivative of phosphodiesterase 4 inhibitor and application thereof 广州中医药大学 2020-05-12 CN disclosed