Anisaldehyde

Anisaldehyde

SCHEMBL6846902

COc1ccc(C=O)cc1.COc1ccc2c(c1)CO2

nearest known ligand 0.58

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
CYP2A6 P11509 1/20 0.58
MAPT P10636 6/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
RAB9A P51151 2/20 0.52
GAA P10253 2/20 0.52
NPC1 O15118 1/20 0.52
ALOX12 P18054 1/20 0.52
APP P05067 1/20 0.48
MAOB P27338 5/20 0.46
MTNR1A P48039 1/20 0.45
CYP3A4 P08684 3/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.42

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
Anisaldehyde SCHEMBL5701903 0.86 ALDH1A1 (0.59) ALDH1A1CYP2A6MAPTHPGDSMN1; SMN2
Anisaldehyde SCHEMBL28290436 0.79 ALDH1A1 (0.54) ALDH1A1CYP2A6MAPTRAB9AMEN1
Anisaldehyde SCHEMBL4522665 0.77 ALDH1A1 (0.70) ALDH1A1CYP2A6MAPTKDM4ETDP1
Piperonal SCHEMBL20184609 0.77 ALDH1A1 (0.72) ALDH1A1CYP2A6MAPTHPGDSMN1; SMN2
SCHEMBL5950274 0.77 NPC1 (0.48) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
Anisaldehyde SCHEMBL1100 0.76 ALDH1A1 (1.00) ALDH1A1CYP2A6KDM4ECYP3A4LMNA
Anisaldehyde SCHEMBL717471 0.76 ALDH1A1 (1.00) ALDH1A1CYP2A6KDM4ECYP3A4LMNA
Anisaldehyde SCHEMBL5800231 0.74 ALDH1A1 (0.51) ALDH1A1CYP2A6MAPTHPGDTDP1
Anisaldehyde SCHEMBL1475478 0.74 ALDH1A1 (0.95) ALDH1A1CYP2A6KDM4ECYP3A4LMNA
Anisaldehyde SCHEMBL11255570 0.74 ALDH1A1 (0.95) ALDH1A1CYP2A6KDM4ECYP3A4LMNA

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-6780900-B1 ALDEHYDE COPOLYMER INK VEHICLE, A NONPOLYMERIC ALDEHYDE VISCOSITY MODIFIER, COLORANT, AN OPTIONAL CONDUCTIVITY ENHANCING AGENT, AN OPTIONAL ANTIOXIDANT, AND AN OPTIONAL UV ABSORBER XEROX CORPORATION 2004-08-24 US claimed
US-6780900-B1 ALDEHYDE COPOLYMER INK VEHICLE, A NONPOLYMERIC ALDEHYDE VISCOSITY MODIFIER, COLORANT, AN OPTIONAL CONDUCTIVITY ENHANCING AGENT, AN OPTIONAL ANTIOXIDANT, AND AN OPTIONAL UV ABSORBER XEROX CORPORATION 2004-08-24 US disclosed