SCHEMBL9539620

SCHEMBL9539620

COC(C(=O)C(OC)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
GAA P10253 2/20 0.54
L3MBTL1 Q9Y468 4/20 0.53
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
KDM4E B2RXH2 1/20 0.50
RECQL P46063 1/20 0.49
CYP3A4 P08684 1/20 0.48
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL888646 0.90 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL889360 0.90 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL15113249 0.90 ALDH1A1 (0.50) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL104518 0.86 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL155984 0.86 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL103235 0.86 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL19334185 0.86 ALDH1A1 (0.47) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL15116487 0.84 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
SCHEMBL710330 0.84 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2
Methane SCHEMBL9122539 0.84 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1KMT2ASMN1; SMN2

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-5223536-A Pyrethroid-like pesticides FMC CORPORATION (US) 1993-06-29 US disclosed
WO-1993001715-A1 1,4-DIARYL-1-CYCLOPROPYL-4-SUBSTITUTED BUTANES AS INSECTICIDES AND ACARICIDES FMC CORPORATION (US) 1993-02-04 WO disclosed