SCHEMBL16796575

SCHEMBL16796575

CC(O)(c1ccccc1I)C(O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ CPT2 P23786 1/20 0.32
▸ ACLY P53396 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ PPARG P37231 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ITGAV P06756 1/20 0.31

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
SCHEMBL15539909 1.00 MAPT (0.36) MAPTHSP90AA1GPR55LMNAMAPK1
SCHEMBL15539822 1.00 MAPT (0.36) MAPTHSP90AA1GPR55LMNAMAPK1
SCHEMBL15539622 0.81 GABRA1 (0.36) MAPTHSP90AA1GPR55LMNAMAPK1
SCHEMBL15538386 0.81 GABRA1 (0.36) MAPTHSP90AA1GPR55LMNAMAPK1
SCHEMBL16795793 0.81 GABRA1 (0.36) MAPTHSP90AA1GPR55LMNAMAPK1
SCHEMBL15538966 0.79 KIF11 (0.41) MAPTHSP90AA1GPR55LMNAMAPK1
SCHEMBL15539304 0.79 KCNN4 (0.44) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL15540080 0.79 KIF11 (0.41) MAPTHSP90AA1GPR55LMNAMAPK1
SCHEMBL15540225 0.79 KCNN4 (0.44) LMNAMAPK1ALDH1A1KMT2AMEN1
SCHEMBL16795807 0.79 KIF11 (0.41) MAPTHSP90AA1GPR55LMNAMAPK1

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-3079685-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 — — EP disclosed
WO-2015088273-A9 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-08-06 — — WO disclosed
WO-2015088273-A1 SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING PAIN BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-06-18 — — WO disclosed
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