SCHEMBL16961981

SCHEMBL16961981

C=[C]c1ccc(OC)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
NQO2 P16083 1/20 0.36
CYP19A1 P11511 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL28571448 0.85 ACHE (0.44) ARACHELMNAMAPTALOX15
SCHEMBL16951313 0.83 AR (0.44) ARACHEMAPTALDH1A1CYP3A4
SCHEMBL10423499 0.83 CA2 (0.48) ARACHETSHRMAPK1ALDH1A1
SCHEMBL17114052 0.83 ACHE (0.43) ARACHELMNAMAPTALOX15
SCHEMBL931494 0.79 AR (0.60) ARACHEALDH1A1KDM4E
SCHEMBL8865717 0.79 FFAR1 (0.41) ARACHELMNAMAPTALOX15
SCHEMBL6210745 0.79 AR (0.40) ARACHELMNAMAPTALOX15
SCHEMBL4304416 0.79 AR (0.40) ARACHELMNAMAPTALOX15
SCHEMBL16957227 0.79 TAS1R3 (0.44) LMNAMAPTMAPK1ALDH1A1KDM4E
SCHEMBL16960259 0.79 TSHR (0.36) LMNAMAPTTSHRSMN1; SMN2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed