SCHEMBL27320801

SCHEMBL27320801

CCOC(=O)C(CC)C(=O)OCc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MMP1 P03956 1/20 0.45
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP12 P39900 1/20 0.45
▸ MMP8 P22894 2/20 0.44
▸ PIN1 Q13526 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ IDO1 P14902 2/20 0.42
▸ PARP10 Q53GL7 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40

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
SCHEMBL2386210 0.83 MMP8 (0.51) EPHX2MAPTRAB9ANPC1KMT2A
SCHEMBL10966205 0.82 EPHX2 (0.47) EPHX2MAPTRAB9ANPC1KMT2A
SCHEMBL7325136 0.79 KMT2A (0.49) MAPTKMT2AALDH1A1TDP1PARP10
SCHEMBL28408733 0.79 MAPT (0.51) MAPTRAB9ANPC1KMT2APOLB
SCHEMBL6988601 0.79 MMP8 (0.48) EPHX2MAPTRAB9ANPC1KMT2A
SCHEMBL28176880 0.78 EPHX2 (0.50) EPHX2KMT2APOLBALDH1A1IDO1
SCHEMBL27787123 0.78 ALDH1A1 (0.56) EPHX2MAPTRAB9ANPC1KMT2A
SCHEMBL7060682 0.78 MMP8 (0.56) RAB9ANPC1KMT2APOLBALDH1A1
SCHEMBL27808961 0.77 ALDH1A1 (0.55) MAPTRAB9ANPC1KMT2APOLB
SCHEMBL27681139 0.77 MRGPRX4 (0.42) EPHX2MAPTKMT2APOLBALDH1A1

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-102257020-A New metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers LUMMUS NOVOLEN TECHNOLOGY GMBH 2011-11-23 — — CN disclosed
CN-1166702-C Propylene Homopolymer, Propylene Copolymer and Propylene Elastomer 三井化学株式会社 2004-09-15 — — CN disclosed
CN-1048501-C Transition metal compound, olefin polymerization catalyst, and olefin polymerization method MITSUI PETROCHEMICAL IND (JP) 2000-01-19 — — CN disclosed
CN-1103405-A Transition metal compound, olefin polymerization catalyst, olefin polymerization process, and propylene polymer MITSUI PETROCHEMICAL IND (JP) 1995-06-07 — — CN disclosed
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