SCHEMBL8886547

SCHEMBL8886547

CC1=CC(=O)N(CC(O)CN2C(=O)C=C(C)C2=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.34
MEN1 O00255 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
PIN1 Q13526 1/20 0.32
PIN4 Q9Y237 1/20 0.32
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 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
SCHEMBL9064643 0.91 KMT2A (0.37) KMT2AALDH1A1MAPK1MAPTRAB9A
SCHEMBL7755344 0.82 EP300 (0.36) KMT2AALDH1A1MAPK1MEN1TSHR
SCHEMBL19301853 0.78 PTGS1 (0.36)
SCHEMBL24939870 0.78 APAF1 (0.41) ALDH1A1PIN1PIN4LMNA
SCHEMBL24939866 0.77 APAF1 (0.31) ALDH1A1MAPTPIN1PIN4LMNA
SCHEMBL4395914 0.76 MGLL (0.33) ALDH1A1MAPK1TSHRMAPTRAB9A
SCHEMBL11805906 0.76 XPO1 (0.33) ALDH1A1MAPTLMNA
SCHEMBL4011867 0.74 ALDH1A1 (0.48) KMT2AALDH1A1MAPK1MEN1MAPT
SCHEMBL22105296 0.73 JUN (0.34)
SCHEMBL2464170 0.73 KDM4E (0.43) KMT2AALDH1A1MEN1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5610240-A CITRACONIC IMIDES AKZO NOBEL NV (NL) 1997-03-11 US disclosed
EP-0555288-B1 ANTI-REVERSION COAGENTS FOR RUBBER VULCANIZATION AKZO NOBEL NV (NL) 1996-06-19 EP disclosed
US-5426155-A Adjuvants which prevent loss of crosslinking in vulcanized rubbers AKZO NOBEL N.V. (NL) 1995-06-20 US disclosed
EP-0640114-A1 SULFUR-VULCANIZED RUBBER COMPOSITION Akzo Nobel N.V. (NL) 1995-03-01 EP disclosed
WO-1993023467-A1 SULFUR-VULCANIZED RUBBER COMPOSITION AKZO NOBEL N.V. (NL) 1993-11-25 WO disclosed