SCHEMBL9306839

SCHEMBL9306839

CC1CCC2C(=O)OC(=O)C2C1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPP5C P53041 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GMNN O75496 2/20 0.35
▸ PMP22 Q01453 2/20 0.35
▸ TFPI2 P48307 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ NFKB1 P19838 2/20 0.35
▸ THPO P40225 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ PPM1B O75688 2/20 0.34
▸ PPP1CC P36873 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PPP1CA P62136 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ GRM6 O15303 2/20 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
SCHEMBL1537491 0.81 LMNA (0.35) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL13685797 0.79 KDM4E (0.43) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL12785466 0.76 KDM4E (0.40) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL16516845 0.75 PPP5C (0.35) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL11854043 0.72 KDM4E (0.52) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL3405524 0.71 LMNA (0.35) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL25804221 0.70 — —
SCHEMBL10519002 0.70 SMN1; SMN2 (0.50) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL15806555 0.70 SMN1; SMN2 (0.50) PPP5CLMNAKDM4EGMNNPMP22
SCHEMBL8918724 0.70 KDM4E (0.39) PPP5CLMNAKDM4EGMNNPMP22

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5368968-A Modified polyester resins, a process for their preparation and toners containing such polyester resins BAYER AKTIENGESELLSCHAFT (DE) 1994-11-29 — — US disclosed
Send feedback