SCHEMBL27985409

SCHEMBL27985409

CCCC(C)(C)C(C)(C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
ALOX15 P16050 1/20 0.42
TSHR P16473 7/20 0.42
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL27985413 0.88 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL17690443 0.84 ALDH1A1 (0.47) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL3219883 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL1885759 0.82 ALDH1A1 (0.45) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL27588971 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL27985406 0.80 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRTDP1LMNA
SCHEMBL28011692 0.80 ALDH1A1 (0.46) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL28820492 0.79 ALDH1A1 (0.45) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL28907963 0.79 ALDH1A1 (0.51) ALDH1A1ALOX15TSHRTDP1L3MBTL1
SCHEMBL28303776 0.79 ALDH1A1 (0.51) ALDH1A1ALOX15TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104513327-A Olefin polymerization catalyst composition and applications thereof CHINA PETROLEUM & CHEMICAL 2015-04-15 CN claimed
CN-104513329-A Catalyst system used in olefin polymerization and application thereof CHINA PETROLEUM & CHEMICAL 2015-04-15 CN disclosed
CN-104513327-A Olefin polymerization catalyst composition and applications thereof CHINA PETROLEUM & CHEMICAL 2015-04-15 CN disclosed