SCHEMBL6897255

SCHEMBL6897255

CC(=O)Oc1ccc(CO)cc1C(=O)O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.79
CYP4F2 P78329 2/20 0.59
CYP4A11 Q02928 2/20 0.59
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 3/20 0.54
PTGS2 P35354 3/20 0.54
PTGS1 P23219 3/20 0.54
ALDH1A1 P00352 3/20 0.54
TSHR P16473 3/20 0.54
HPGD P15428 3/20 0.54
ESR1 P03372 1/20 0.54
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
HMGB1 P09429 1/20 0.54
GGT1 P19440 1/20 0.54
BLM P54132 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL16719156 0.88 CFD (1.00) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL6401352 0.87 CFD (0.79) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL3289850 0.85 CFD (0.77) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL11556750 0.84 CFD (0.74) CFDKDM4EHSD17B10PTGS2PTGS1
SCHEMBL12837926 0.83 MRGPRX4 (0.57) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL30206648 0.83 CFD (0.55) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL19640086 0.83 CFD (0.55) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL16719151 0.83 CFD (0.88) CFDCYP4F2CYP4A11KDM4EHSD17B10
SCHEMBL8010429 0.82 CYP4F2 (0.72) CFDCYP4F2CYP4A11KDM4EPTGS1
SCHEMBL22733403 0.80 CFD (0.52) CFDCYP4F2CYP4A11KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0914307-B1 ENZYMATICALLY REMOVABLE LINKERS FOR SOLID PHASE SYNTHESIS BASF AG (DE) 2004-09-15 EP disclosed
US-6271345-B1 FOR SYNTHESIS OF ORGANIC COMPOUNDS, COMBINATORIAL CHEMISTRY BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-6271345-B1 FOR SYNTHESIS OF ORGANIC COMPOUNDS, COMBINATORIAL CHEMISTRY BASF AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed