SCHEMBL5322100

SCHEMBL5322100

CC(C)(C(=O)O)c1c(Br)cccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.44
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 4/20 0.40
FABP4 P15090 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.36
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
MYC P01106 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL1855103 0.85 PRNP (0.46) PRNPALOX15ALDH1A1FABP4KDM4E
SCHEMBL30070392 0.78 TAS2R14 (0.46) PRNPALOX15ALDH1A1FABP4KDM4E
SCHEMBL19950528 0.78 TAS2R14 (0.46) PRNPALOX15ALDH1A1FABP4KDM4E
SCHEMBL161622 0.74 ALOX15 (0.53) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10707667 0.72 ALOX15 (0.52) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28064460 0.72 ALOX15 (0.52) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5081336 0.72 ALDH1A1 (0.50) PRNPALOX15ALDH1A1FABP4KDM4E
SCHEMBL5322102 0.71 PRNP (0.37) PRNPALOX15HPGDCA12CA1
SCHEMBL31189227 0.71 PRNP (0.37) PRNPALOX15HPGDCA12CA1
SCHEMBL29621571 0.71 TSHR (0.52) PRNPALOX15ALDH1A1FABP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed
EP-1603567-A4 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2006-10-18 EP disclosed
EP-1603567-A2 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2005-12-14 EP disclosed
WO-2005009398-A2 TETRACYCLIC BENZAMIDE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-02-03 WO disclosed