SCHEMBL5079788

SCHEMBL5079788

O=C1CC(C2CC(=O)OC2=O)C(=O)O1.O=C1OC(=O)C2C3C=CC(C12)C1C(=O)OC(=O)C31

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
PPM1B O75688 1/20 0.34
LMNA P02545 1/20 0.34
PPP1CC P36873 1/20 0.34
TFPI2 P48307 1/20 0.34
RAB9A P51151 1/20 0.34
PPP5C P53041 1/20 0.34
PPP1CA P62136 1/20 0.34
PMP22 Q01453 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL18537682 0.80 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL15786373 0.80 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL671860 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL114258 0.80 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL18807102 0.80 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL23139797 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL15780501 0.80 TSHR (0.35) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL15451887 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL19057999 0.80 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EGMNNPPM1BLMNA
SCHEMBL18454614 0.79 KDM4E (0.39) SMN1; SMN2KDM4EGMNNPPM1BLMNA

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-20080226845-A1 Polyamic acid-based composition and liquid crystal orienting film DAILY POLYMER CO., LTD. 2008-09-18 US claimed