SCHEMBL29119376

SCHEMBL29119376

CCCCCCOC(CCCC)C(=O)OCCCCCCBr

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
NAAA Q02083 1/20 0.43
EPHX1 P07099 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 2/20 0.40
DGKA P23743 1/20 0.40
ZDHHC7 Q9NXF8 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
RAD52 P43351 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ESR1 P03372 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 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
SCHEMBL27780734 0.89 NAAA (0.50) FAAHNAAAEPHX1NPC1MAPT
SCHEMBL27780513 0.89 NAAA (0.50) FAAHNAAAEPHX1NPC1MAPT
SCHEMBL5199730 0.85 ALDH1A1 (0.48) NAAAEPHX1ALDH1A1TSHRHCAR2
Hydrochloric Acid SCHEMBL31380059 0.83 NAAA (0.48) FAAHNAAAEPHX1NPC1MAPT
SCHEMBL8422775 0.83 NAAA (0.48) FAAHNAAAEPHX1ALDH1A1TSHR
SCHEMBL25361268 0.81 CA2 (0.47) FAAHNAAAEPHX1NPC1MAPT
SCHEMBL31275643 0.81 CA2 (0.47) FAAHNAAAEPHX1NPC1MAPT
SCHEMBL20757030 0.81 CA2 (0.47) FAAHNAAAEPHX1NPC1MAPT
SCHEMBL31275977 0.81 CA2 (0.47) FAAHNAAAEPHX1NPC1MAPT
SCHEMBL4806001 0.80 NAAA (0.48) FAAHNAAAEPHX1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317944-A Acyclic lipids and methods of use thereof 雷纳嘉德医疗管理公司 2024-07-09 CN disclosed
CN-116887841-A Nanomaterials comprising ester-linked acetals 比姆医疗股份有限公司 2023-10-13 CN disclosed