SCHEMBL5216451

SCHEMBL5216451

O=C(NN=C1C(=O)N(CCc2ccccc2)c2ccc(SCCc3ccc(C(=O)O)cc3)cc21)Nc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 4/20 0.43
MAPT P10636 2/20 0.39
MCL1 Q07820 1/20 0.36
BCL2A1 Q16548 1/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CCKBR P32239 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER2 P43116 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL5111207 0.93 PARK7 (0.48) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5111211 0.93 PARK7 (0.48) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5117655 0.93 MAPT (0.42) PARK7MAPTCA12CA1CA2
SCHEMBL14287335 0.93 MAPT (0.42) PARK7MAPTCA12CA1CA2
SCHEMBL5110717 0.93 MAPT (0.36) PARK7MAPTMCL1BCL2A1CA12
SCHEMBL5117649 0.93 MAPT (0.42) PARK7MAPTCA12CA1CA2
SCHEMBL5110719 0.93 MAPT (0.36) PARK7MAPTMCL1BCL2A1CA12
SCHEMBL14287339 0.92 PARK7 (0.44) PARK7MAPTMCL1BCL2A1CA12
SCHEMBL5114732 0.92 PARK7 (0.44) PARK7MAPTMCL1BCL2A1CA12
SCHEMBL5114729 0.92 PARK7 (0.44) PARK7MAPTMCL1BCL2A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP claimed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 WO claimed
EP-1828124-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development (FR) 2007-09-05 EP disclosed
WO-2006063863-A1 BIAROMATIC COMPOUNDS THAT MODULATE PPAR TYPE RECEPTORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-22 WO disclosed