SCHEMBL9550773

SCHEMBL9550773

CCCCCCCCCCN(OC(C)=O)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
DNM1 Q05193 4/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 3/20 0.39
FAAH O00519 1/20 0.39
TSHR P16473 6/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
GPR84 Q9NQS5 4/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX15 P16050 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
SCHEMBL31055575 0.98 ALDH1A1 (0.40) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL9619111 0.98 ALDH1A1 (0.43) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL9618988 0.91 ALDH1A1 (0.44) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL6361287 0.91 ALDH1A1 (0.32) ALDH1A1TSHRHSD17B10
SCHEMBL9005427 0.84 ALDH1A1 (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL6916298 0.83 CES2 (0.43) ALDH1A1DNM1CES2TSHRPPARG
SCHEMBL11316939 0.83 ALDH1A1 (0.41) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL190924 0.83 ALDH1A1 (0.41) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL11324311 0.83 ALDH1A1 (0.41) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL11317529 0.83 ALDH1A1 (0.41) ALDH1A1DNM1CES2CES1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103977906-A Reverse-flotation normal-temperature collecting agent and preparation method thereof HEBEI IRON & STEEL GROUP MINE DESIGN CO LTD 2014-08-13 CN claimed
CN-103977906-B Reverse flotation ambient-temperature collector and preparation method thereof 河北钢铁集团矿山设计有限公司 2017-11-17 CN disclosed
CN-103977906-B Reverse flotation ambient-temperature collector and preparation method thereof 河北钢铁集团矿山设计有限公司 2017-11-17 CN disclosed
CN-103977906-A Reverse-flotation normal-temperature collecting agent and preparation method thereof HEBEI IRON & STEEL GROUP MINE DESIGN CO LTD 2014-08-13 CN disclosed
CN-103977906-A Reverse-flotation normal-temperature collecting agent and preparation method thereof HEBEI IRON & STEEL GROUP MINE DESIGN CO LTD 2014-08-13 CN disclosed
US-5186940-A Antitumor agents THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-02-16 US disclosed
US-5178876-A Antitumor agents THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1993-01-12 US disclosed
EP-0248036-A1 HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES. UNIV TEXAS (US) 1987-12-09 EP disclosed
WO-1987002364-A1 HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1987-04-23 WO disclosed