SCHEMBL28048610

SCHEMBL28048610

CCCCCCCCOC(=O)c1ccc(C(=O)O)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH1A1 P00352 3/20 0.55
TSHR P16473 3/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
MMP2 P08253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ESR1 P03372 3/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL27936558 1.00 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL28825285 1.00 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL28690901 1.00 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL28691701 1.00 MEN1 (0.66) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL18154630 0.98 TDP1 (0.63) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL136240 0.94 TDP1 (0.56) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL16268280 0.94 ALDH1A1 (0.62) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL15422580 0.94 ALDH1A1 (0.62) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL28708367 0.94 ALDH1A1 (0.62) MEN1KMT2ATDP1ALDH1A1TSHR
SCHEMBL16267961 0.94 ALDH1A1 (0.62) MEN1KMT2ATDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110526884-A New bio base furans ester perfume and its synthetic method UNIV SCIENCE & TECHNOLOGY CHINA 2019-12-03 CN disclosed
CN-105985302-B One kind 2,5- furans diformamide diamine compound, preparation method and application 中国科学院宁波材料技术与工程研究所 2019-06-07 CN disclosed
CN-105246960-B Dialkyl 2, 5-furandicarboxylate plasticizers and plasticized polymeric compositions 陶氏环球技术有限责任公司 2019-05-10 CN disclosed
CN-105246959-B 2,5- furandicarboxylic acid dialkyl ester plasticizer and the polymer composition of plasticising 陶氏环球技术有限责任公司 2018-05-18 CN disclosed
CN-105246960-A Dialkyl 2, 5-furandicarboxylate plasticizers and plasticized polymeric compositions DOW GLOBAL TECHNOLOGIES INC 2016-01-13 CN disclosed
CN-105246959-A Dialkyl 2,5-furandicarboxylate plasticizers and plasticized polymeric compositions DOW GLOBAL TECHNOLOGIES INC 2016-01-13 CN disclosed