SCHEMBL6255535

SCHEMBL6255535

O=C(CCNCc1cccc(-c2ccc(Nc3ccccc3C(=O)O)cc2)c1)c1ccc2cc(O)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
CDC7 O00311 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
GSK3B P49841 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
ITGB7 P26010 1/20 0.40
FTO Q9C0B1 1/20 0.40
PPARG P37231 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
DHODH Q02127 1/20 0.39
HDAC1 Q13547 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL5360998 0.91 HCAR2 (0.43) HCAR2TOP2ATOP2BCTSVCTSL
SCHEMBL6255537 0.82 CTSV (0.43) HCAR2TOP2ATOP2BCTSVCTSL
SCHEMBL5361000 0.80 HSD17B2 (0.54) HCAR2CTSVCTSLMEN1KMT2A
SCHEMBL6255533 0.78 AOC3 (0.45) HCAR2TOP2ATOP2BCTSVCTSL
SCHEMBL5359843 0.76 NR1H4 (0.45) TOP2ATOP2B
SCHEMBL5360567 0.74 CTSV (0.40) HCAR2CTSVCTSLHDAC1MEN1
SCHEMBL5359674 0.73 MRGPRX4 (0.44) TOP2ATOP2BITGB1ITGA4ITGB7
SCHEMBL5355946 0.72 KDM4C (0.42) HCAR2CTSVCTSLKDM4CMEN1
SCHEMBL12856464 0.70 SMN1; SMN2 (0.55) PPARGHDAC1
SCHEMBL5363523 0.70 HCAR2 (0.42) HCAR2CTSVCTSLKDM4CMEN1

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-1572629-A1 COMPOUNDS WHICH MODULATE PPARϝ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2005-09-14 EP disclosed
WO-2004052840-A1 COMPOUNDS WHICH MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-06-24 WO disclosed