SCHEMBL7768778

SCHEMBL7768778

CCCCCCCCCCCCOC(=O)N[C@H](C(=O)O)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ACHE P22303 12/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NAAA Q02083 1/20 0.43

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
SCHEMBL697937 0.94 EPHX1 (0.43) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL1534984 0.94 EPHX1 (0.43) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL10137321 0.87 KDM4E (0.36) EPHX1ACHERAB9ASMN1; SMN2
SCHEMBL7886184 0.84 ACHE (0.38) ACHE
SCHEMBL4764642 0.83 EPHX1 (0.42) EPHX1ACHENPC1RAB9ASMN1; SMN2
SCHEMBL12868563 0.83 HRH3 (0.36) EPHX1ACHENAAA
SCHEMBL10137333 0.83 HRH3 (0.36) EPHX1ACHE
SCHEMBL733660 0.82 ALDH1A1 (0.40) EPHX1ACHESMN1; SMN2
SCHEMBL3307264 0.82 MAPT (0.37) EPHX1ACHE
SCHEMBL731050 0.82 ALDH1A1 (0.40) EPHX1ACHESMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083372-A FAST, HIGH RESOLUTION SEPARATIONS WITH INCREASED DETECTABILITY. WATERS INVESTMENTS LIMITED (US) 2000-07-04 US claimed
EP-0721446-B1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORP (US) 2001-07-18 EP disclosed
US-6090250-A CAPILLARY ELECTROPHORESIS CHROMATOGRAPHY USING AN ANIONIC SURFACTANT HAVING A HYDROPHOBIC TAIL IN A CHANNEL WITH AN ELECTROLYTE SOLUTION WHERE THE COMPOUND, E.G., ASPARTAME, IS INJECTED, VOLTAGE APPLIED AND MICELLES FORMED; HIGH SPEED WATERS INVESTMENTS LIMITED (US) 2000-07-18 US disclosed
US-6083372-A FAST, HIGH RESOLUTION SEPARATIONS WITH INCREASED DETECTABILITY. WATERS INVESTMENTS LIMITED (US) 2000-07-04 US disclosed
WO-1997004308-A1 BUFFER/ADDITIVES ELECTROLYTE COMBINATIONS FOR ELECTROKINETIC CHROMATOGRAPHY WATERS INVESTMENTS LIMITED (US) 1997-02-06 WO disclosed
EP-0721446-A1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS Waters Corporation (US) 1996-07-17 EP disclosed
WO-1995008529-A1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORPORATION (US) 1995-03-30 WO disclosed