SCHEMBL6800488

SCHEMBL6800488

CC(=O)Oc1ccc(N(Cc2ccc(OCc3ccccc3)cc2)C(C)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.70
ALOX5 P09917 4/20 0.62
PTGS1 P23219 1/20 0.62
PTGS2 P35354 1/20 0.62
PTGES O14684 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
MAOB P27338 1/20 0.51
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NOX1 Q9Y5S8 2/20 0.48
LTB4R2 Q9NPC1 1/20 0.47

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
SCHEMBL6799498 0.84 TSPO (0.51) TSPOALDH1A1SMN1; SMN2LTB4R2
SCHEMBL1068959 0.84 MAOB (0.70) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL4517358 0.78 FFAR1 (0.64) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL10922368 0.78 RNF4 (0.67) TSPOALDH1A1SMN1; SMN2LTB4R2
SCHEMBL9707249 0.77 ALOX5 (1.00) TSPOALOX5PTGS1PTGS2L3MBTL1
SCHEMBL6418344 0.77 ALOX5 (0.74) TSPOALOX5PTGS1PTGS2L3MBTL1
SCHEMBL5702266 0.77 L3MBTL1 (0.63) TSPOALOX5PTGS1PTGS2PTGES
SCHEMBL6799059 0.76 TSPO (0.46) TSPOSMN1; SMN2
SCHEMBL28516316 0.76 MAOB (0.68) ALOX5PTGS1PTGS2L3MBTL1MAOB
SCHEMBL9735930 0.76 MAOB (0.68) ALOX5PTGS1PTGS2L3MBTL1MAOB

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-1308297-C Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2007-04-04 CN disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 US disclosed
CN-1360570-A Phenyl sulfamate derivs. TEIKOKU HORMONE MFG CO LTD (JP) 2002-07-24 CN disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 EP disclosed