SCHEMBL28802430

SCHEMBL28802430

CCCOC(=O)CC.CCNc1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
MGLL Q99685 2/20 0.40
CACNA1B Q00975 1/20 0.40
PAX8 Q06710 1/20 0.40
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
IL18 Q14116 1/20 0.39
MMP2 P08253 3/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL27885111 0.84 ALDH1A1 (0.43) MAPTALDH1A1RAB9ALMNAMEN1
Benzonitrile SCHEMBL27917177 0.81 LMNA (0.49) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL27902236 0.80 MAPT (0.54) MAPTALDH1A1MGLLRAB9ALMNA
SCHEMBL1800038 0.78 CYP2A6 (0.52) MAPTALDH1A1LMNASAE1UBA2
SCHEMBL14376088 0.77 SMN1; SMN2 (0.61) MAPTALDH1A1MGLLPAX8RAB9A
Acetoacetic Acid SCHEMBL27717062 0.74 SAE1 (0.43) MAPTALDH1A1RAB9ALMNAMEN1
SCHEMBL16166309 0.74 POLB (0.57) MAPTALDH1A1RAB9ALMNAMEN1
Ethyl Propionate SCHEMBL23581114 0.71 CYP4F2 (0.45) MAPTALDH1A1RAB9ALMNAMAPK1
SCHEMBL4118174 0.71 MAPT (0.68) MAPTALDH1A1RAB9ALMNAMEN1
SCHEMBL12173945 0.71 MAPT (0.43) MAPTALDH1A1RAB9ALMNAMEN1

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
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 CN claimed
CN-102834420-A Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP 2012-12-19 CN claimed
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 CN disclosed
CN-102834420-A Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP 2012-12-19 CN disclosed