SCHEMBL7796082

SCHEMBL7796082

CCCCOC(=O)N1C(=O)C2=C(c3ccccc3)N(C(=O)OCCCC)C(=O)C2=C1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.52
TSHR P16473 4/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 7/20 0.43
CHRM4 P08173 7/20 0.43
CHRM5 P08912 7/20 0.43
CHRM1 P11229 7/20 0.43
CHRM3 P20309 7/20 0.43
GAA P10253 1/20 0.43
EGFR P00533 1/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL11782335 0.78 BCHE (0.58) BCHETSHRL3MBTL1TDP1MEN1
SCHEMBL7040367 0.75 BCHE (0.35) BCHEL3MBTL1CNR2LMNAMAPT
SCHEMBL7104032 0.74 ASAH1 (0.55) BCHETSHRL3MBTL1TDP1MEN1
SCHEMBL902929 0.74 BCHE (0.48) BCHETSHRTDP1ALDH1A1HSD17B10
SCHEMBL24148723 0.73 CTRB1 (0.50) L3MBTL1TDP1MEN1KMT2AGAA
SCHEMBL5077440 0.72 ASAH1 (0.57) BCHETSHRL3MBTL1TDP1MEN1
Biphenyl SCHEMBL17473153 0.72 TSHR (0.59) BCHETSHRL3MBTL1TDP1MEN1
SCHEMBL11409349 0.72 BCHE (0.53) BCHETSHRMEN1KMT2AGAA
SCHEMBL9267955 0.71 BCHE (0.53) BCHETSHRL3MBTL1TDP1MEN1
SCHEMBL27569955 0.69 BCHE (0.58) BCHETSHRL3MBTL1TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0718697-B1 Electrophotographic photoreceptor CIBA SC HOLDING AG (CH) 2001-11-21 EP disclosed
US-5718998-A CONDUCTIVE SUBSTRATE; PHOTOSENSITIVE LAYER CONTAINING CHARGEGENERATING MATERIAL AND ORGANIC PIGMENT CIBA SPECIALTY CHEMICAL HOLDING, INC. (CH) 1998-02-17 US disclosed
US-5616725-A REACTING PYRROLO(3,4-C)PYROLE DERIVATIVE WITH ONE OF COMPOUNDS SELECTED FROM DICARBONATES, TRIHALOACETATES, AZIDES, ALKYLIDENE-IMINOOXYFORMATE OR MIXTURES IN AN ORGANIC SOLVENT IN PRESENCE OF A BASIC CATALYST CIBA-GEIGY CORPORATION (US) 1997-04-01 US disclosed
EP-0718697-A2 Electrophotographic photoreceptor CIBA-GEIGY AG (CH) 1996-06-26 EP disclosed
US-5484943-A FLUORESCENT PIGMENTS CIBA-GEIGY CORPORATION (US) 1996-01-16 US disclosed
EP-0648770-A2 Pyrrolo(3,4-c)pyrroles CIBA-GEIGY AG (CH) 1995-04-19 EP disclosed