SCHEMBL6844866

SCHEMBL6844866

CC=Cc1ccccc1S(=O)(=O)Cc1ccc(-c2ccoc2)c(OC)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.40
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
TUBB2A Q13885 2/20 0.32
TUBB8 Q3ZCM7 2/20 0.32
TUBA3E Q6PEY2 2/20 0.32
TUBA1A Q71U36 2/20 0.32
TUBA1C Q9BQE3 2/20 0.32
TUBB6 Q9BUF5 2/20 0.32

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
SCHEMBL18801333 0.92 METAP2 (0.43) METAP2FABP4FABP5BRD4ALDH1A1
SCHEMBL14717710 0.92 METAP2 (0.43) METAP2FABP4FABP5BRD4ALDH1A1
SCHEMBL1648565 0.92 METAP2 (0.43) METAP2FABP4FABP5BRD4ALDH1A1
SCHEMBL1648087 0.88 METAP2 (0.55) METAP2FABP4FABP5BRD4PPARG
SCHEMBL1648085 0.88 METAP2 (0.55) METAP2FABP4FABP5BRD4PPARG
SCHEMBL16863810 0.88 METAP2 (0.55) METAP2FABP4FABP5BRD4PPARG
SCHEMBL6844943 0.86 METAP2 (0.39) METAP2FABP4FABP5ALDH1A1
SCHEMBL1648099 0.86 METAP2 (0.45) METAP2FABP4FABP5BRD4ALDH1A1
SCHEMBL1648337 0.86 METAP2 (0.43) METAP2FABP4FABP5BRD4ALDH1A1
SCHEMBL1648274 0.85 METAP2 (0.46) METAP2FABP4FABP5BRD4ALDH1A1

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
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed