SCHEMBL9469775

SCHEMBL9469775

COc1cc(OC(C)=O)ccc1/C=C/C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.62
CYP1B1 Q16678 2/20 0.62
MAPT P10636 7/20 0.61
ALDH1A1 P00352 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TNFRSF1A P19438 1/20 0.56
LY96 Q9Y6Y9 1/20 0.53
GAA P10253 1/20 0.52
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CHRNA7 P36544 1/20 0.50
PTGS2 P35354 1/20 0.50

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
SCHEMBL9469778 1.00 CYP1A1 (0.62) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL15052052 0.88 MAPT (0.61) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL29449851 0.88 MAPT (0.79) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL27892982 0.88 MAPT (0.79) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL79457 0.88 MAPT (0.79) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL79456 0.88 MAPT (0.79) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL27858760 0.86 MAPT (0.77) CYP1A1CYP1B1MAPTALDH1A1MEN1
Hydrochloric Acid SCHEMBL15299858 0.86 MAPT (0.77) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL31074934 0.84 CYP1A1 (0.57) CYP1A1CYP1B1MAPTALDH1A1MEN1
SCHEMBL28405142 0.84 MAPT (0.63) 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