SCHEMBL6799498

SCHEMBL6799498

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSPO P30536 5/20 0.51
GFER P55789 1/20 0.44
LTB4R2 Q9NPC1 3/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BCL2A1 Q16548 2/20 0.41

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
SCHEMBL6801979 0.87 LTB4R2 (0.53) TSPOLTB4R2CYP3A4CYP2C9PDK1
SCHEMBL6800488 0.84 TSPO (0.70) TSPOLTB4R2ALDH1A1SMN1; SMN2
SCHEMBL6799059 0.82 TSPO (0.46) TSPOSMN1; SMN2
SCHEMBL14048468 0.77 ELANE (0.59) CYP3A4LMNAALDH1A1
4-Acetoxyphenol SCHEMBL203149 0.77 LMNA (0.67) GFERCYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL6902198 0.75 LMNA (0.47) LMNAALDH1A1SMN1; SMN2
4-Acetoxyphenol SCHEMBL27671868 0.75 LMNA (0.64) GFERCYP3A4LMNAALDH1A1SMN1; SMN2
4-Acetoxyphenol SCHEMBL27952470 0.75 LMNA (0.64) GFERCYP3A4LMNAALDH1A1SMN1; SMN2
SCHEMBL12907190 0.74 BCL2A1 (0.45) LMNAALDH1A1BCL2A1
SCHEMBL6916598 0.74 LMNA (0.46) CYP3A4LMNAALDH1A1SMN1; SMN2

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