SCHEMBL9469853

SCHEMBL9469853

CCOC(=O)C=Cc1ccc(OC(C)=O)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.57
CYP1B1 Q16678 2/20 0.57
MAPT P10636 3/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ESR1 P03372 1/20 0.53
MAOB P27338 1/20 0.51
LY96 Q9Y6Y9 1/20 0.51
TNFRSF1A P19438 1/20 0.50
AKR1B10 O60218 4/20 0.49
AKR1B1 P15121 4/20 0.49
FDPS P14324 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47
BACE1 P56817 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 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
SCHEMBL9469851 1.00 CYP1A1 (0.57) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL4592398 0.89 MAPT (0.68) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL4592405 0.89 MAPT (0.68) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL2391170 0.83 FBP1 (0.46) MAPTALDH1A1MEN1KMT2AESR1
SCHEMBL29581080 0.82 MAOB (0.57) MAPTALDH1A1MEN1KMT2AESR1
SCHEMBL22867612 0.82 MAOB (0.57) MAPTALDH1A1MEN1KMT2AESR1
SCHEMBL9469775 0.82 CYP1A1 (0.62) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL9469778 0.82 CYP1A1 (0.62) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL25288435 0.82 HDAC8 (0.58) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL7205018 0.82 HDAC8 (0.58) CYP1A1CYP1B1MAPTALDH1A1MEN1

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
JP-5105643-A None JP disclosed
JP-H05105643-A CINNAMIC ACID DERIVATIVE AND SKIN-BEAUTIFYING COSMETIC CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT KAO CORP 1993-04-27 JP disclosed