SCHEMBL2177211

SCHEMBL2177211

CC(C)(C)C(NC(=O)O)c1cccc(-c2ccc(C=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.43
TRIM24 O15164 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 1/20 0.42
MMP2 P08253 2/20 0.39
MMP3 P08254 2/20 0.39
MMP1 P03956 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
PTGS2 P35354 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
NR4A2 P43354 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 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
SCHEMBL1749308 0.84 CTSL (0.36) RXRANR4A2CTSLCTSKCTSA
SCHEMBL6255366 0.77 MME (0.42) DRD1TRIM24TRIM33MMP2MMP3
SCHEMBL66551 0.76 PSEN1 (0.36) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL6254238 0.74 DRD1 (0.43) DRD1TRIM24TRIM33RXRARXRB
SCHEMBL67172 0.74 ALDH1A1 (0.48) CTSA
SCHEMBL2459503 0.74 CPN1 (0.45) HPGDS
SCHEMBL15380733 0.72 MAPK1 (0.37) HPGDSCTSLCTSK
SCHEMBL5265186 0.71 MEN1 (0.43) AKR1C3AKR1C2
SCHEMBL186787 0.71 HPGDS (0.43) HPGDS
SCHEMBL18498972 0.70 HDAC8 (0.51) HDAC2

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 1 patent. 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