SCHEMBL9068112

SCHEMBL9068112

C=COC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
LMNA P02545 6/20 0.46
MAPK1 P28482 3/20 0.46
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
XBP1 P17861 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
AKT1 P31749 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ESR1 P03372 1/20 0.33
HPGD P15428 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33

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
SCHEMBL210976 0.88 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL210975 0.88 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL21268071 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL24703978 0.81 ALDH1A1 (0.50) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL521197 0.80 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL11496915 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL548361 0.78 ALDH1A1 (0.52) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL12421596 0.78 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL11421380 0.78 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1MAPTRAB9A
SCHEMBL9068109 0.77 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492953-A COMPATIBLE BLENDS OF (MODIFIED)POLYOLEFINS, PARTIALLY SAPONIFIED ETHYLENE-VINYL ACETATE COPOLYMERS, METAL SALTS OF HIGHER FATTY ACIDS AND/OR EDTA, HYDROTALCITE, MOLDING MATERIALS KURARAY CO., LTD. (JP) 1996-02-20 US disclosed
US-5389709-A Blend of polyolefin, saponified ethylene-vinyl acetate copolymer, metal salts of high fatty acid, hydrotalcite and unsaturated acid-modified polyolefin; smooth molded materials KURARAY CO., LTD. (JP) 1995-02-14 US disclosed
EP-0425820-B1 Resin composition and multilayered structure KURARAY CO (JP) 1995-01-04 EP disclosed
US-5082743-A Saponified ethylene-vinyl acetate copolymer KURARAY CO., LTD. (JP) 1992-01-21 US disclosed