SCHEMBL11048431

SCHEMBL11048431

CC(C)=CC1C(Cc2coc(Cc3ccccc3)c2)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.40
ALOX15 P16050 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL3548701 0.79 APP (0.36) IDH1CYP1A2CYP2C19TSHRMAPK1
SCHEMBL3548705 0.79 APP (0.36) IDH1CYP1A2CYP2C19TSHRMAPK1
Chrysanthemic Acid SCHEMBL10625867 0.78 TDP1 (0.44) IDH1CYP1A2CYP2C19TSHRTDP1
Resmethrin SCHEMBL6298160 0.77 TDP1 (0.63) IDH1CYP1A2CYP2C19TSHRTDP1
SCHEMBL11792262 0.77 IDH1 (0.38) IDH1TDP1
Resmethrin SCHEMBL24119148 0.77 TDP1 (0.63) IDH1CYP1A2CYP2C19TSHRTDP1
Resmethrin SCHEMBL7864383 0.77 TDP1 (0.63) IDH1CYP1A2CYP2C19TSHRTDP1
Resmethrin SCHEMBL117636 0.77 TDP1 (0.63) IDH1CYP1A2CYP2C19TSHRTDP1
Resmethrin SCHEMBL9862122 0.77 TDP1 (0.63) IDH1CYP1A2CYP2C19TSHRTDP1
Resmethrin SCHEMBL14438159 0.77 TDP1 (0.63) IDH1CYP1A2CYP2C19TSHRTDP1

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
EP-0097959-A1 Stabilized pesticidal compositions BIO-UCLAF CORPORATION (US) 1984-01-11 EP disclosed
EP-0017810-B1 PESTICIDAL AGENTS CONTAINING SUBSTITUTED BENZAZOLES AND APPLICATION THEREOF BAYER AG (DE) 1983-06-29 EP disclosed
EP-0020391-A1 SUBSTITUTED ACETIC ACID ESTERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1981-01-07 EP disclosed
EP-0017810-A2 Pesticidal agents containing substituted benzazoles and application thereof BAYER AG (DE) 1980-10-29 EP disclosed
WO-1980000563-A1 SUBSTITUTED ACETIC ACID ESTERS SOREX LTD (GB) 1980-04-03 WO disclosed