SCHEMBL28616481

SCHEMBL28616481

CCCCCCCCOC(=O)c1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 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
LMNA P02545 1/20 0.40
CNR2 P34972 2/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
STS P08842 3/20 0.36
CNR1 P21554 1/20 0.36

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
SCHEMBL29015779 0.89 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL31390244 0.89 ESR1 (0.49) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL28616483 0.86 MAPT (0.41) CNR2MAPTALDH1A1CNR1
SCHEMBL19216392 0.85 EPHX2 (0.38) ALDH1A1CNR1
SCHEMBL4835939 0.85 ESR1 (0.41) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL29603281 0.85 PSEN1 (0.38) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL135175 0.85 PSEN1 (0.38) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL9229451 0.84 EPHX2 (0.41) CNR2ALDH1A1CNR1
SCHEMBL78014 0.84 EPHX2 (0.41) CNR2ALDH1A1CNR1
SCHEMBL13030430 0.84 EPHX2 (0.41) CNR2ALDH1A1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117940472-A Steering wheel structure 路博润先进材料公司 2024-04-26 CN disclosed
CN-117940496-A Thermoplastic polyurethane foam steering wheel cover 路博润先进材料公司 2024-04-26 CN disclosed
CN-112638968-A Photocurable composition for 3D printing 巴斯夫欧洲公司 2021-04-09 CN disclosed