SCHEMBL2173501

SCHEMBL2173501

COC(=O)[C@H](Cc1ccc(Br)cc1)OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
ACACB O00763 3/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL2173508 1.00 HDAC1 (0.43) HDAC1HDAC6SMN1; SMN2ALDH1A1HTT
SCHEMBL3144970 0.85 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL3144981 0.85 PPARA (0.51) PPARGPPARAPPARD
SCHEMBL2175381 0.82 HDAC1 (0.46) HDAC1HDAC6PPARGPPARAACACB
SCHEMBL2175392 0.82 HDAC1 (0.46) HDAC1HDAC6PPARGPPARAACACB
SCHEMBL3522639 0.82 PPARG (0.42) SMN1; SMN2ALDH1A1PPARGPPARAPOLB
SCHEMBL1750768 0.81 PPARA (0.51) HDAC1HDAC6PPARGPPARAESR1
SCHEMBL1750767 0.81 PPARA (0.51) HDAC1HDAC6PPARGPPARAESR1
SCHEMBL27663528 0.79 PPARG (0.41) PPARGPPARAPOLB
SCHEMBL15446290 0.77 HDAC1 (0.49) HDAC1HDAC6PPARGPPARAACACB

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