SCHEMBL28154068

SCHEMBL28154068

CCCCCC(=O)COC1(C)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CES2 O00748 4/20 0.38
▸ CES1 P23141 4/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HAO1 Q9UJM8 1/20 0.37
▸ NAAA Q02083 2/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ TDP1 Q9NUW8 3/20 0.36
▸ PAM P19021 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ PPARG P37231 4/20 0.35
▸ PPARD Q03181 4/20 0.35
▸ PPARA Q07869 4/20 0.35
▸ TSHR P16473 3/20 0.35
▸ GPR84 Q9NQS5 3/20 0.35
▸ HDAC11 Q96DB2 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ SLC22A6 Q4U2R8 1/20 0.35
▸ SLC22A8 Q8TCC7 1/20 0.35

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
SCHEMBL28154103 0.98 KMT2A (0.43) KMT2AMAPTCES2CES1HAO1
SCHEMBL27981152 0.98 KMT2A (0.43) KMT2AMAPTCES2CES1HAO1
SCHEMBL27960379 0.98 KMT2A (0.43) KMT2AMAPTCES2CES1HAO1
SCHEMBL27960370 0.95 CES1 (0.35) KMT2AMAPTCES2CES1L3MBTL1
SCHEMBL28155023 0.76 CYP3A4 (0.39) L3MBTL1TDP1TSHRALDH1A1HSD17B10
SCHEMBL25180042 0.74 NAAA (0.47) KMT2AMAPTCES2CES1L3MBTL1
SCHEMBL12443034 0.74 NAAA (0.49) MAPTCES2CES1NAAAPAM
SCHEMBL18597085 0.74 NAAA (0.49) MAPTCES2CES1NAAAPAM
SCHEMBL28155012 0.71 CYP19A1 (0.30) —
SCHEMBL8737871 0.70 CYP19A1 (0.37) KMT2AMEN1TSHRALDH1A1

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-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
Send feedback