SCHEMBL5332777

SCHEMBL5332777

Cc1cc(CCSc2ccc3c(c2)C(=NNC(=O)Nc2ccc(C(F)(F)F)cc2Cl)C(=O)N3CCc2ccccc2)ccc1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 8/20 0.36
BCL2A1 Q16548 8/20 0.36
BID P55957 1/20 0.36
ACHE P22303 1/20 0.36
CA9 Q16790 2/20 0.35
CA2 P00918 1/20 0.35
PARK7 Q99497 1/20 0.34
BCL2 P10415 1/20 0.34
BCL2L1 Q07817 1/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PLK1 P53350 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
PRKAG1 P54619 1/20 0.32
PRKAA1 Q13131 1/20 0.32
PRKAB1 Q9Y478 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL5332766 1.00 MCL1 (0.36) MCL1BCL2A1BIDACHECA9
SCHEMBL5113607 0.93 PARK7 (0.40) MCL1BCL2A1BIDACHECA9
SCHEMBL5113604 0.93 PARK7 (0.40) MCL1BCL2A1BIDACHECA9
SCHEMBL5123434 0.90 MRGPRX4 (0.36) MCL1BCL2A1BIDACHECA9
SCHEMBL5123438 0.90 MRGPRX4 (0.36) MCL1BCL2A1BIDACHECA9
SCHEMBL14287341 0.90 MRGPRX4 (0.36) MCL1BCL2A1BIDACHECA9
SCHEMBL14287348 0.88 PLK1 (0.37) MCL1BCL2A1BIDACHECA9
SCHEMBL14287352 0.85 PLK1 (0.40) MCL1BCL2A1ACHECA9CA2
SCHEMBL14287359 0.83 PLK1 (0.43) PLK1
SCHEMBL5110708 0.83 PARK7 (0.44) MCL1BCL2A1CA9CA2PARK7

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