SCHEMBL9850286

SCHEMBL9850286

CCC(C)(C)OOc1cccc(C(=O)O)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 6/20 0.41
HPGD P15428 5/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
ESR1 P03372 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
HMGB1 P09429 1/20 0.41
GGT1 P19440 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
BLM P54132 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9067284 0.89 PTGER1 (0.41) PTGER1MAPK1KDM4EHSD17B10HPGD
SCHEMBL1054940 0.86 KDM4E (0.53) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL1508738 0.84 PTGER1 (0.43) PTGER1MAPK1KDM4EHSD17B10HPGD
SCHEMBL9336412 0.83 PTGER1 (0.40) PTGER1MAPK1KDM4EHSD17B10HPGD
SCHEMBL9067157 0.79 KDM4E (0.56) MAPK1KDM4EHSD17B10HPGDALDH1A1
SCHEMBL9850282 0.79 CA12 (0.41) KDM4EHSD17B10HPGDALDH1A1TDP1
SCHEMBL9850292 0.77 CYP2C9 (0.41) KDM4EHSD17B10HPGDALDH1A1TSHR
SCHEMBL2345074 0.74 PTGER1 (0.52) PTGER1HSD17B10TSHRMEN1KMT2A
SCHEMBL5227296 0.74 PTGER1 (0.46) PTGER1MAPK1KDM4EHSD17B10HPGD
SCHEMBL15457980 0.73 KDM4E (0.51) KDM4EHSD17B10HPGDALDH1A1TSHR

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
EP-0444604-A2 Crosslinking of fluorrubber via crosslinking initiators not forming any methyl- or phenyl-radicals Elf Atochem Deutschland GmbH (DE) 1991-09-04 EP disclosed