SCHEMBL6576436

SCHEMBL6576436

CCCCONC(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ACHE P22303 14/20 0.52
ATM Q13315 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL28481312 0.94 EPHX1 (0.52) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL4957666 0.91 EPHX1 (0.50) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL1136659 0.89 SMN1; SMN2 (0.45) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL15397844 0.86 ALDH1A1 (0.42) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL29160583 0.86 EPHX1 (0.58) EPHX1ACHE
SCHEMBL2484625 0.84 EPHX1 (0.47) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL7769869 0.84 EPHX1 (0.47) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL14577464 0.83 EPHX1 (0.40) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL2484624 0.83 EPHX1 (0.46) EPHX1ALDH1A1ACHEATMRAB9A
SCHEMBL19836849 0.82 TSHR (0.57) EPHX1ALDH1A1ACHERAB9ANPC1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930303-B1 A process for preparing isocyanate compounds from haloaminotriazines and acid halides CYTEC TECH CORP (US) 2004-02-04 EP disclosed
EP-0933371-B1 N-halo acid amides CYTEC TECH CORP (US) 2003-04-09 EP disclosed
EP-0565774-B1 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECH CORP (US) 2001-03-28 EP disclosed
EP-0933369-A1 Tris-(omega-haloacyl)melamines CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0933370-A1 Tris-(2,2,6,6-tetramethyl-piperid-4-yl-aminocarbonyl)melamine CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0933371-A1 N-halo acid amides CYTEC TECHNOLOGY CORP. (US) 1999-08-04 EP disclosed
EP-0930303-A2 A process for preparing isocyanate compounds from haloaminotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1999-07-21 EP disclosed
US-5571915-A Process for preparing amide derivatives from haloaminotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1996-11-05 US disclosed
US-5405959-A Haloaminotraizines and acid halides CYTEC TECHNOLOGY CORP. (US) 1995-04-11 US disclosed
US-5288865-A Process for preparing amide derivatives from haloaminotriazines and acid halides AMERICAN CYANAMID COMPANY (US) 1994-02-22 US disclosed
EP-0565774-A2 Process for preparing amide derivatives from halominotriazines and acid halides CYTEC TECHNOLOGY CORP. (US) 1993-10-20 EP disclosed
EP-0541966-A2 Process for preparing amide derivatives from halomines and acid halides AMERICAN CYANAMID COMPANY (US) 1993-05-19 EP disclosed