Edetol

Edetol

SCHEMBL9682893

CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CC(O)CNCCN

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ANPEP P15144 1/20 0.35
KMT2A Q03164 3/20 0.32
CA12 O43570 3/20 0.32
CA6 P23280 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 0.32
CA14 Q9ULX7 3/20 0.32
CA5B Q9Y2D0 3/20 0.32
MEN1 O00255 2/20 0.32
RECQL P46063 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
LMNA P02545 2/20 0.31
CA2 P00918 2/20 0.31
CA3 P07451 2/20 0.31
CA4 P22748 2/20 0.31
CA5A P35218 2/20 0.31
CA1 P00915 1/20 0.31
ALOX15 P16050 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
SCHEMBL19832996 0.92 CYP2C9 (0.39) CYP2C9CYP2C19ANPEPKMT2ACA12
Edetol SCHEMBL25180337 0.89 CA12 (0.44) CYP2C9CYP2C19KMT2ACA12CA6
SCHEMBL10884117 0.85 CYP2C19 (0.48) CYP2C9CYP2C19KMT2ACA12CA6
SCHEMBL13973989 0.85 KMT2A (0.33) ANPEPKMT2AALDH1A1
SCHEMBL14661178 0.85 KMT2A (0.33) ANPEPKMT2AALDH1A1
SCHEMBL2536610 0.84 KMT2A (0.34) CYP2C19ANPEPKMT2AMEN1ALDH1A1
SCHEMBL169586 0.84
SCHEMBL19774600 0.84
SCHEMBL22356268 0.84 KMT2A (0.30) KMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL22842379 0.84 TDP1 (0.41) CYP2C9CYP2C19KMT2ACA12CA6

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
US-5120364-A Water and oil repellents CIBA-GEIGY CORPORATION (US) 1992-06-09 US disclosed
US-4536254-A OIL AND WATER REPELLENTS CIBA-GEIGY CORPORATION (US) 1985-08-20 US disclosed
EP-0073732-B1 AMMONIUM AND AMINE SALTS OF DI-PERFLUOROALKYL GROUP CONTAINING ACIDS, COMPOSITIONS AND USE THEREOF CIBA-GEIGY AG (CH) 1984-09-26 EP disclosed
US-4419298-A OIL AND WATER REPELLENTS CIBA-GEIGY CORPORATION (US) 1983-12-06 US disclosed