SCHEMBL16795807

SCHEMBL16795807

CC(O)(c1ccccc1Cl)C(O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA1A P35348 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNH2 Q12809 1/20 0.39
CXCL8 P10145 2/20 0.38
KCNN4 O15554 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDK1 Q15118 3/20 0.36
PDK2 Q15119 3/20 0.36
PDK3 Q15120 3/20 0.36
PDK4 Q16654 3/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL15540080 1.00 KIF11 (0.41) KIF11HTR2AHTR2CADRA1AOPRK1
SCHEMBL15538966 1.00 KIF11 (0.41) KIF11HTR2AHTR2CADRA1AOPRK1
SCHEMBL15539613 0.82 CXCL8 (0.40) CXCL8ALDH1A1PDK1PDK2PDK3
SCHEMBL17093286 0.82 CXCL8 (0.40) CXCL8ALDH1A1PDK1PDK2PDK3
SCHEMBL16795793 0.81 GABRA1 (0.36) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL15538386 0.81 GABRA1 (0.36) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL15539622 0.81 GABRA1 (0.36) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL15539693 0.80 TSHR (0.43) HTR2AHTR2CALDH1A1PDK1PDK2
SCHEMBL15538981 0.80 TSHR (0.43) HTR2AHTR2CALDH1A1PDK1PDK2
SCHEMBL15538901 0.80 TSHR (0.43) HTR2AHTR2CALDH1A1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3079686-A1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY Bio-Pharm Solutions Co., Ltd. (KR) 2016-10-19 EP disclosed
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
WO-2015088271-A1 SULFAMATE DERIVATIVE COMPOUND FOR USE IN PREVENTING OR TREATING EPILEPSY BIO-PHARM SOLUTIONS, CO., LTD. (KR) 2015-06-18 WO disclosed