SCHEMBL6909563

SCHEMBL6909563

COc1ccc(C=C(C)C=O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
CYP1A2 P05177 9/20 0.58
CYP1A1 P04798 7/20 0.58
CYP1B1 Q16678 7/20 0.58
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP3A4 P08684 3/20 0.54
CYP2C9 P11712 2/20 0.54
NFE2L2 Q16236 2/20 0.51
TNFRSF1A P19438 1/20 0.50
GAA P10253 1/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2C8 P10632 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP4B1 P13584 1/20 0.49
CYP2B6 P20813 1/20 0.49
CYP3A5 P20815 1/20 0.49

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
SCHEMBL27567539 0.82 CYP1A2 (0.66) ALDH1A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL20144609 0.80 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL96291 0.78 ALDH1A1 (1.00) ALDH1A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL3303048 0.77 KDM4E (0.54) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL4257971 0.77 ALDH1A1 (0.65) ALDH1A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL28221250 0.77 KDM4E (0.54) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL10533217 0.77 KDM4E (0.54) ALDH1A1MAPTMEN1KMT2ACYP3A4
SCHEMBL7192327 0.77 CYP1A2 (0.63) ALDH1A1CYP1A2CYP1A1CYP1B1MAPT
SCHEMBL30434248 0.77 KDM4E (0.54) ALDH1A1MAPTMEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL9456784 0.77 ALDH1A1 (0.96) ALDH1A1CYP1A2CYP1A1CYP1B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004002224-A1 COMPOSITION FOR INHIBITING GNAWING AND FEEDING BY INSECTS AND ANIMALS INTENDED TO BE APPLIED ON SEEDLINGS AND TREES FORSKARPATENT I SYD AB (SE) 2004-01-08 WO claimed
EP-1294229-A1 COMPOSITION FOR INHIBITING FEEDING OF WEEVILS Forskarpatent I SYD (SE) 2003-03-26 EP claimed
WO-2002000022-A1 COMPOSITION FOR INHIBITING FEEDING OF WEEVILS FORSKARPATENT I SYD (SE) 2002-01-03 WO claimed
EP-1294229-A1 COMPOSITION FOR INHIBITING FEEDING OF WEEVILS Forskarpatent I SYD (SE) 2003-03-26 EP disclosed
WO-2002000022-A1 COMPOSITION FOR INHIBITING FEEDING OF WEEVILS FORSKARPATENT I SYD (SE) 2002-01-03 WO disclosed