SCHEMBL9102841

SCHEMBL9102841

Cc1c(O[O])cccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.49
TSHR P16473 3/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 6/20 0.48
HPGD P15428 5/20 0.48
HSD17B10 Q99714 5/20 0.48
ALDH1A1 P00352 5/20 0.48
ESR1 P03372 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HMGB1 P09429 1/20 0.48
GGT1 P19440 1/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
BLM P54132 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 2/20 0.46
ALOX15 P16050 1/20 0.44
TLR2 O60603 1/20 0.44

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
SCHEMBL311839 0.84 HTT (0.59) PTGER1TSHRMAPK1KDM4EHPGD
SCHEMBL29959614 0.84 HTT (0.59) PTGER1TSHRMAPK1KDM4EHPGD
Hydrochloric Acid SCHEMBL2375636 0.82 HTT (0.58) PTGER1TSHRMAPK1KDM4EHPGD
SCHEMBL28837856 0.82 HTT (0.58) PTGER1TSHRMAPK1KDM4EHPGD
SCHEMBL6178884 0.81 KDM4E (0.70) PTGER1TSHRMAPK1KDM4EHPGD
Benzene SCHEMBL27265959 0.80 TSHR (0.61) TSHRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL27703149 0.80 TSHR (0.61) TSHRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL756585 0.80 TSHR (0.61) TSHRKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL7471571 0.79 PTGER1 (0.52) PTGER1TSHRMAPK1KDM4EHPGD
SCHEMBL3636037 0.79 IRAK4 (0.54) PTGER1TSHRMAPK1KDM4EHPGD

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
EP-0381135-B1 Novel hydroxy-peroxides and their uses ATOCHEM NORTH AMERICA (US) 1994-06-01 EP claimed
EP-0084715-B1 A PROCESS FOR PREPARING POLY(P-METHYLSTYRENE) MOBIL OIL CORPORATION (US) 1986-10-22 EP claimed
US-5451654-A Addition polymerization catalyst ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-09-19 US disclosed
US-5387654-A Hydroxy-peroxides and their uses ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-02-07 US disclosed
US-5304649-A Curing agent for unsaturated polyesters ELF ATOCHEM NORTH AMERICA, INC. (US) 1994-04-19 US disclosed