SCHEMBL9702459

SCHEMBL9702459

CC(=O)Oc1ccc2ccccc2c1Oc1ccc2ccccc2c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 5/20 0.47
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
BLM P54132 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
HTT P42858 3/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL1502327 0.88 NCEH1 (0.57) NCEH1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL536406 0.87 NCEH1 (0.56) NCEH1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL9703111 0.85 KDM4E (0.60) NCEH1MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL11894598 0.84 LMNA (0.54) NCEH1MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL9488962 0.82 HTT (0.54) NCEH1MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL4225247 0.81 NCEH1 (0.48) NCEH1MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL3317320 0.80 ALDH1A1 (0.55) NCEH1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL914280 0.80 ALDH1A1 (0.55) NCEH1KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL27489224 0.79 NCEH1 (0.49) NCEH1ALDH1A1HPGDHTTLMNA
SCHEMBL23930399 0.77 NCEH1 (0.72) NCEH1MAPK1KDM4EHSD17B10ALDH1A1

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-5169978-A Polyester monomer SOCIETE ATOCHEM (FR) 1992-12-08 US disclosed