SCHEMBL3645547

SCHEMBL3645547

CCCCCCCCCCCOC(=O)C(C)(C)Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
EPHX1 P07099 1/20 0.50
TSHR P16473 4/20 0.49
ALDH1A1 P00352 2/20 0.49
FAAH O00519 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ESR1 P03372 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45

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
SCHEMBL28919926 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL18018655 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL649600 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL650595 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL652686 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL652601 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL19865613 1.00 NAAA (0.53) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL11457160 0.98 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL29229177 0.96 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH
SCHEMBL29229150 0.96 NAAA (0.50) NAAAEPHX1TSHRALDH1A1FAAH

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-115372318-A Three-dimensional SPR chip, preparation method and application thereof 伍昌林 2022-11-22 CN claimed
CN-115372318-A Three-dimensional SPR chip, preparation method and application thereof 伍昌林 2022-11-22 CN disclosed
CN-113577401-B Long-acting antibacterial and anti-stenosis functional urethral stent and preparation method thereof 南通纺织丝绸产业技术研究院 2022-06-07 CN disclosed
CN-113577401-A Long-acting antibacterial and anti-stenosis functional urethral stent and preparation method thereof 南通纺织丝绸产业技术研究院 2021-11-02 CN disclosed
EP-2176066-A1 STRUCTURAL MEMBER AND METHOD OF PRODUCING THE STRUCTURAL MEMBER Canon Kabushiki Kaisha (JP) 2010-04-21 EP disclosed
WO-2009020220-A1 STRUCTURAL MEMBER AND METHOD OF PRODUCING THE STRUCTURAL MEMBER CANON KABUSHIKI KAISHA (JP) 2009-02-12 WO disclosed