SCHEMBL5217066

SCHEMBL5217066

CC(C)(C)NC(=O)NN=C1C(=O)N(CCc2ccccc2)c2ccc(SCCc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARK7 Q99497 5/20 0.46
MCL1 Q07820 5/20 0.37
BCL2A1 Q16548 5/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
ALDH1A1 P00352 4/20 0.35
ALDH2 P05091 3/20 0.35
ALDH3A1 P30838 3/20 0.35
BID P55957 1/20 0.35
HDAC1 Q13547 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL5114499 0.93 PARK7 (0.40) PARK7MCL1BCL2A1CA1CA4
SCHEMBL5110054 0.93 PARK7 (0.40) PARK7MCL1BCL2A1CA1CA4
SCHEMBL5111211 0.88 PARK7 (0.48) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5111207 0.88 PARK7 (0.48) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5114732 0.85 PARK7 (0.44) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5114729 0.85 PARK7 (0.44) PARK7MCL1BCL2A1CA12CA1
SCHEMBL14287339 0.85 PARK7 (0.44) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5110704 0.85 PARK7 (0.44) PARK7MCL1BCL2A1CA12CA1
SCHEMBL5110708 0.85 PARK7 (0.44) PARK7MCL1BCL2A1CA12CA1
SCHEMBL14287374 0.85 PARK7 (0.41) PARK7MCL1BCL2A1CA12CA1

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 2 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 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