SCHEMBL7749412

SCHEMBL7749412

CCCOc1ccc(Br)c(CC=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.37
CYP1A2 P05177 2/20 0.37
DPP4 P27487 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LMNA P02545 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
SCHEMBL15602182 0.94 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL22483601 0.85 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL5748867 0.81 LTA4H (0.44) CA12CA1CA2CA7CA9
SCHEMBL3928795 0.80 ALDH1A1 (0.41) HSD17B10ERN1HTR1A
SCHEMBL13652565 0.78 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7661459 0.78 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL29071162 0.77 THRB (0.49) MAPTKMT2ACYP1A2HSD17B10L3MBTL1
SCHEMBL16863738 0.76 MAOB (0.50) CA12CA1CA2CA7CA9
SCHEMBL6869710 0.74 LMNA (0.54) CA12CA1CA2CA7CA9
SCHEMBL28095482 0.74 ERN1 (0.50) CA12CA1CA2CA7CA9

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
EP-1019397-A4 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORP (US) 2001-01-17 EP disclosed
EP-1019397-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2000-07-19 EP disclosed
WO-1997017341-A1 A PROCESS OF MAKING 3-PHENYL-1-METHYLENEDIOXYPHENYL-INDANE-2-CARBOXYLIC ACID DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 1997-05-15 WO disclosed