SCHEMBL9468271

SCHEMBL9468271

O=C1OC[C@@H]2[C@H]1[C@H]1CC[C@@H]2O1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ GMNN O75496 1/20 0.52
▸ PPM1B O75688 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ PPP1CC P36873 1/20 0.52
▸ TFPI2 P48307 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PPP5C P53041 1/20 0.52
▸ PPP1CA P62136 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ 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
SCHEMBL1105064 1.00 KDM4E (0.52) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL9472368 1.00 KDM4E (0.52) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL19619092 1.00 KDM4E (0.52) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL18434862 1.00 KDM4E (0.52) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL14354861 1.00 KDM4E (0.52) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL10910890 1.00 KDM4E (0.52) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL9699655 1.00 KDM4E (0.52) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL283305 0.82 KDM4E (0.37) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL3195020 0.69 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC
Demethyl-Cantharidin SCHEMBL9675442 0.69 TP53 (1.00) KDM4EGMNNPPM1BLMNAPPP1CC

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-5245055-A Multistage, ylide intermediate, treatment of thrombosis E. R. SQUIBB & SONS, INC. (US) 1993-09-14 — — US disclosed
US-5084387-A Enzyme hydrolytic deesterification and cyclization E. R. SQUIBB & SONS, INC. (US) 1992-01-28 — — US disclosed
US-5084581-A Hydrolysis with alkali metal carbonate, bicarbonate or hydroxide and cyclization E. R. SQUIBB & SONS, INC. (US) 1992-01-28 — — US disclosed
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