SCHEMBL27960370

SCHEMBL27960370

CCCCC(=O)COC1(C)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 3/20 0.35
▸ CES2 O00748 2/20 0.35
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CETP P11597 4/20 0.32
▸ POLB P06746 1/20 0.32
▸ NAAA Q02083 2/20 0.31
▸ HAO1 Q9UJM8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28154068 0.95 KMT2A (0.40) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL27981152 0.93 KMT2A (0.43) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL27960379 0.93 KMT2A (0.43) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL28154103 0.93 KMT2A (0.43) CES1CES2KMT2AMAPTALDH1A1
SCHEMBL28155023 0.78 CYP3A4 (0.39) ALDH1A1CA1L3MBTL1
SCHEMBL14985533 0.74 CYP19A1 (0.44) CES1CES2MAPTALDH1A1TP53
SCHEMBL28155012 0.73 CYP19A1 (0.30) —
SCHEMBL13564624 0.73 CYP19A1 (0.46) CES1CES2KMT2AALDH1A1TP53
SCHEMBL31213026 0.72 CYP1A2 (0.38) KMT2AALDH1A1
SCHEMBL31213025 0.71 CYP1A2 (0.41) ALDH1A1

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-104053682-B For the high activity catalyst component and its application method of olefinic polymerization 格雷斯公司 2017-05-31 — — CN claimed
CN-103619475-B Emulsion method for improved big spherical polypropylene catalyst 格雷斯公司 2017-08-04 — — CN disclosed
CN-104053682-B For the high activity catalyst component and its application method of olefinic polymerization 格雷斯公司 2017-05-31 — — CN disclosed
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 — — CN disclosed
Send feedback