SCHEMBL9767847

SCHEMBL9767847

O[C@H]1[C@H](O)[C@](O)(Cc2ccccc2)[C@](O)(Cc2ccccc2)[C@@H](O)[C@@]1(O)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MAOA P21397 7/20 0.34
MAOB P27338 7/20 0.34
LMNA P02545 1/20 0.33
KDM1A O60341 4/20 0.33
TSHR P16473 2/20 0.32
OPRL1 P41146 2/20 0.32
HSD11B1 P28845 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9439683 1.00 ALDH1A1 (0.36) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9767846 1.00 ALDH1A1 (0.36) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9457376 1.00 ALDH1A1 (0.36) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9439377 0.82 MAOA (0.48) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9439491 0.79 ALDH1A1 (0.39) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9053809 0.76 ALDH1A1 (0.40) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9767801 0.73 MAOA (0.38) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL6922576 0.73 MAOA (0.38) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9767803 0.73 MAOA (0.38) ALDH1A1MAOAMAOBLMNAKDM1A
SCHEMBL9439352 0.68 ALDH1A1 (0.34) ALDH1A1MAOAMAOBLMNAKDM1A

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
US-5026898-A Cell process controllers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 US disclosed
US-4924023-A MEDICINE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-05-08 US disclosed
US-4873355-A Process for regioselectively preparing phosphorylated inositols and other cyclitols E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-10-10 US disclosed