SCHEMBL6993468

SCHEMBL6993468

Cc1c(C)c2c(C)cccc2oc1=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ELANE P08246 8/20 0.47
ALDH2 P05091 1/20 0.44
ESR2 Q92731 2/20 0.44
THRB P10828 1/20 0.43
MAPT P10636 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HSD17B3 P37058 1/20 0.40
ACHE P22303 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4812115 0.84 GAA (0.48) KDM4EELANEESR2MAPTALDH1A1
SCHEMBL14829419 0.81 CYP1A1 (0.48) KDM4EELANETHRBMAPTMAOB
SCHEMBL10790308 0.79 KDM4E (0.55) KDM4EMAPTMAOAHSD17B3ALDH1A1
SCHEMBL31485738 0.79 ELANE (0.47) KDM4EELANEESR2MAPTMAOA
SCHEMBL11308108 0.78 GAA (0.53) KDM4EELANEMAPTALDH1A1GAA
SCHEMBL17177077 0.78 KDM4E (0.49) KDM4EELANEALDH2ESR2MAPT
SCHEMBL9205430 0.77 ELANE (0.37) ELANEALDH2ESR2ACHEALDH1A1
SCHEMBL17637914 0.76 KDM4E (0.56) KDM4EELANEESR2MAPTMAOA
SCHEMBL17166803 0.76 CYP2A6 (0.43) ELANEACHEALDH1A1
SCHEMBL15069107 0.74 CCR4 (0.49) ELANEMAPT

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
CN-100376244-C Use of non-steroidal sulfamate compounds for preparing medicine for treating tumor STERIX LTD (GB) 2008-03-26 CN disclosed
CN-1989961-A Use of non-steroidal sulfamate compound in the prepararion of drug for treating tumor STERIX LTD (GB) 2007-07-04 CN disclosed
CN-1701790-A Use of non-steroidal sulfamate compounds for preparing medicine for treating tumor STERIX LTD (GB) 2005-11-30 CN disclosed
EP-1032265-B1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2003-10-29 EP disclosed