SCHEMBL12834033

SCHEMBL12834033

O=CC1C(C(=O)O)C2C(=O)OC(=O)C12

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ GMNN O75496 1/20 0.30
▸ PPM1B O75688 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ PPP1CC P36873 1/20 0.30
▸ TFPI2 P48307 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ PPP5C P53041 1/20 0.30
▸ PPP1CA P62136 1/20 0.30
▸ PMP22 Q01453 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ NFKB1 P19838 1/20 0.30
▸ THPO P40225 1/20 0.30

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
SCHEMBL31509894 0.80 KDM4E (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL3137226 0.80 EDNRB (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL8918724 0.80 KDM4E (0.39) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL9994809 0.78 EDNRB (0.38) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL1436171 0.78 EDNRB (0.38) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL21322369 0.78 SMN1; SMN2 (0.34) PPM1BPPP1CCSMN1; SMN2CYP2D6
SCHEMBL14326008 0.78 POLB (0.33) TDP1
SCHEMBL13957510 0.77 POLB (0.32) PPM1BTDP1
SCHEMBL1150234 0.71 TDP1 (0.45) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL13351484 0.71 KDM4E (0.31) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107978-B1 LIQUID CRYSTAL ALIGNMENT COMPOSITION, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT ROLIC TECH AG (CH) 2020-05-06 — — EP disclosed
EP-2301750-A1 Resin composition for laser engraving, relief printing starting plate for laser engraving and process for producing the same Fujifilm Corporation (JP) 2011-03-30 — — EP disclosed
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