SCHEMBL7803976

SCHEMBL7803976

O=C1OC2(OC(=O)c3ccc1cc3)C1CCC2CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 2/20 0.32
SIGMAR1 Q99720 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL440484 0.78 ALDH1A1 (0.40) PTGS2ALDH1A1
SCHEMBL7129048 0.69 SMN1; SMN2 (0.41) SIGMAR1ALDH1A1
SCHEMBL27545733 0.65 ALDH1A1 (0.45) ALDH1A1
SCHEMBL11222734 0.65 KIF11 (0.33)
SCHEMBL27987809 0.64 SMN1; SMN2 (0.50) ALDH1A1
SCHEMBL1355574 0.64 MAPK1 (0.33)
SCHEMBL2059857 0.64 ALDH2 (0.34)
SCHEMBL28930535 0.62
SCHEMBL28906941 0.61 IDO1 (0.32) ALDH1A1
SCHEMBL132129 0.60 F2 (0.37) ALDH1A1

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-6281299-B1 MELT PROCESSABILITY GENERAL ELECTRIC COMPANY 2001-08-28 US disclosed
US-4622263-A DURABLE DIAPER TORAY INDUSTRIES, INC. (JP) 1986-11-11 US disclosed
US-3992421-A ANTHRAQUINONE DYESTUFFS FOR BLUE DYEINGS OF POLYESTERS AMERICAN COLOR & CHEMICAL CORPORATION (US) 1976-11-16 US disclosed