SCHEMBL28308702

SCHEMBL28308702

CCCCCCCCOC(=O)c1ccoc1C(=O)OCCCCCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
TSHR P16473 3/20 0.62
LMNA P02545 1/20 0.62
TP53 P04637 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAPK1 P28482 1/20 0.59
HSD17B10 Q99714 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ESR1 P03372 1/20 0.47
AKR1C4 P17516 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47

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
SCHEMBL28902543 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28706598 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28511326 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28902535 1.00 ALDH1A1 (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28902553 0.98 TSHR (0.61) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL9863067 0.94 TSHR (0.60) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL31021124 0.91 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL31021121 0.91 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL29234965 0.91 TSHR (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL28308703 0.91 ALDH1A1 (0.59) ALDH1A1TSHRLMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163407-B Furan ring component for inhibiting or killing microorganism, product containing the same and application thereof 中国科学院宁波材料技术与工程研究所 2023-10-24 CN disclosed
CN-116333280-A Process for preparing poly (alkylene furandicarboxylates) 杜邦工业生物科学美国有限责任公司 2023-06-27 CN disclosed
CN-116041675-A Method for preparing poly (trimethylene furandicarboxylate) using zinc catalyst 杜邦工业生物科学美国有限责任公司 2023-05-02 CN disclosed
CN-110520460-B Process for the preparation of poly (alkylene furandicarboxylate) 杜邦工业生物科学美国有限责任公司 2022-12-30 CN disclosed
CN-110520459-B Process for preparing poly (trimethylene furandicarboxylate) using zinc catalyst 杜邦工业生物科学美国有限责任公司 2022-12-02 CN disclosed
CN-110520460-A Process for the preparation of poly (alkylene furandicarboxylate) DU PONT 2019-11-29 CN disclosed
CN-110520459-A Process for preparing poly (trimethylene furandicarboxylate) using zinc catalyst DUPONT IND BIOSCIENCES USA LLC 2019-11-29 CN disclosed
CN-110072908-A The method for being used to prepare poly- (three methylene ester of furandicarboxylic acid) 纳幕尔杜邦公司 2019-07-30 CN disclosed