SCHEMBL28849439

SCHEMBL28849439

O=C(CCCC/C=C\c1cccnc1)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 16/20 0.76
▸ TBXA2R P21731 1/20 0.51
▸ PLOD2 O00469 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL29950720 1.00 TBXAS1 (0.76) TBXAS1TBXA2RPLOD2L3MBTL1LMNA
SCHEMBL5354515 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL5354522 0.86 TBXAS1 (1.00) TBXAS1TBXA2R
SCHEMBL28849432 0.85 TBXAS1 (0.53) TBXAS1PLOD2L3MBTL1LMNAMAPT
SCHEMBL10444608 0.82 TBXAS1 (0.91) TBXAS1TBXA2RMAPT
SCHEMBL28454162 0.81 L3MBTL1 (0.58) TBXAS1L3MBTL1LMNAMAPTTDP1
SCHEMBL9733214 0.79 TBXAS1 (0.71) TBXAS1LMNAMAPT
SCHEMBL9733216 0.79 TBXAS1 (0.71) TBXAS1LMNAMAPT
SCHEMBL14423635 0.78 TBXAS1 (0.70) TBXAS1LMNAMAPTTDP1
SCHEMBL9265164 0.77 TBXAS1 (0.68) TBXAS1MAPT

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-115108875-B Nitrogen-containing heteroarene chiral cyclic alcohol constructed by asymmetric catalysis of visible light, and preparation method and application thereof 河南师范大学 2023-07-04 — — CN disclosed
CN-115108875-A Nitrogen-containing heteroarene chiral cyclic alcohol constructed by visible light asymmetric catalysis, and preparation method and application thereof 河南师范大学 2022-09-27 — — CN disclosed
Send feedback