SCHEMBL9797407

SCHEMBL9797407

CCC1C(C(=O)O)=C(C)NC(C)=C1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 5/20 0.45
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 6/20 0.44
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TRPV1 Q8NER1 2/20 0.38
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
XBP1 P17861 1/20 0.35

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
SCHEMBL28735864 0.90 ADORA3 (0.50) GAAPOLBADORA3ALDH1A1LMNA
SCHEMBL8655261 0.83 ALDH1A1 (0.65) GAAPOLBADORA3ALDH1A1LMNA
SCHEMBL8652188 0.79 ALDH1A1 (0.51) GAAPOLBADORA3ALDH1A1LMNA
SCHEMBL5359112 0.78 GAA (0.59) GAAPOLBADORA3ALDH1A1LMNA
SCHEMBL2576010 0.78 LMNA (0.50) GAAPOLBALDH1A1LMNAHPGD
SCHEMBL8652876 0.77 FFAR3 (0.45) GAAPOLBALDH1A1LMNAHPGD
SCHEMBL8653433 0.77 GAA (0.38) GAAPOLBADORA3ALDH1A1LMNA
SCHEMBL1007130 0.77 ALDH1A1 (0.73) GAAPOLBADORA3ALDH1A1LMNA
SCHEMBL8654462 0.77 ALDH1A1 (0.49) GAAPOLBALDH1A1LMNAHPGD
SCHEMBL8654643 0.77 ALDH1A1 (0.49) GAAPOLBALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223206-B1 METHOD FOR REDUCING COLOR CROSS-CONTAMINATION DURING RE-IMAGING OF PHOTOTACKIFIABLE MATERIALS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-30 EP disclosed
US-4716095-A PRETREATMENT WITH ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-12-29 US disclosed
US-4698293-A Process for forming positive tonable images using a photosensitive material containing at least 1,4-dihydropyridine E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-10-06 US disclosed
EP-0224137-A2 Process for forming positive tonable images using a photosensitive material containing at least one 1,4-dihydropyridine E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-06-03 EP disclosed
EP-0223206-A2 Method for reducing color cross-contamination during re-imaging of phototackifiable materials E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-05-27 EP disclosed
US-4358529-A BINDER, A HEXAARYLBIIMIDAZOLE, A DIHYDROPYRIDINE, AND AN IMIDOTHIOESTER OR A TAUTOMER; NONSILVER PHOTOGRAPHY E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-11-09 US disclosed