SCHEMBL8350780

SCHEMBL8350780

CCn1nccc1OC(=O)c1ccc2c(c1)C1(CCS2(=O)=O)OCCO1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
GCK P35557 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SSTR5 P35346 1/20 0.31

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
SCHEMBL8346483 0.76 GCK (0.32) GCK
SCHEMBL8351357 0.74 RXRA (0.38) RARARARBSSTR5
SCHEMBL8348941 0.72 MAPT (0.32)
SCHEMBL8866957 0.65 GCK (0.30) GCK
SCHEMBL8127340 0.65
SCHEMBL8129456 0.64
SCHEMBL8130146 0.62 GCK (0.32) GCK
SCHEMBL27691368 0.62 L3MBTL1 (0.42) GCKNPC1RAB9A
SCHEMBL8137523 0.61
SCHEMBL29420219 0.61 CASP3 (0.33) RAB9A

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
US-5952266-A HERBICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-14 US disclosed
WO-1997001550-A1 HERBICIDAL KETALS AND SPIROCYCLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed