SCHEMBL2175262

SCHEMBL2175262

COC(=O)[C@H](Cc1ccc(Br)cc1)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.48
LTA4H P09960 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.45
CTSB P07858 1/20 0.44
PPARG P37231 3/20 0.44
PPARA Q07869 3/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
PPARD Q03181 1/20 0.44
POLB P06746 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
PTPN1 P18031 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL2175270 1.00 PSMB5 (0.48) PSMB5LTA4HMEN1KMT2ANPC1
SCHEMBL28851016 0.91 PSMB5 (0.54) PSMB5LTA4HMEN1KMT2APPARG
SCHEMBL28851015 0.91 PSMB5 (0.54) PSMB5LTA4HMEN1KMT2APPARG
SCHEMBL3188659 0.85 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL3188673 0.85 PPARG (0.54) PPARGPPARAPPARD
SCHEMBL1750767 0.82 PPARA (0.51) PPARGPPARAHDAC1HDAC6PPARD
SCHEMBL1750768 0.82 PPARA (0.51) PPARGPPARAHDAC1HDAC6PPARD
SCHEMBL28765229 0.82 POLB (0.46) PSMB5LTA4HMEN1KMT2ARAB9A
SCHEMBL7900470 0.82 ALDH1A1 (0.49) PSMB5LTA4HMEN1KMT2ATRPM8
SCHEMBL10487481 0.82 PPARG (0.61) PPARGPPARAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed
EP-1742608-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϝ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2007-01-17 EP disclosed
WO-2005108352-A1 NOVEL BIAROMATIC COMPOUNDS WHICH ACTIVATE PPARϜ-TYPE RECEPTORS, THEIR PROCESS OF PREPARATION AND THEIR USE IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2005-11-17 WO disclosed