SCHEMBL6551872

SCHEMBL6551872

CCC=CNC(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
GAA P10253 2/20 0.47
ALOX15 P16050 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
IDO1 P14902 1/20 0.45
CA9 Q16790 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
NAAA Q02083 1/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.42

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
SCHEMBL17188462 1.00 RAB9A (0.58) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL27889880 0.83 NPC1 (0.59) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL6075048 0.83 CYP1A2 (0.58) RAB9ANPC1GAAHDAC1HDAC6
SCHEMBL5604600 0.83 CYP1A2 (0.58) RAB9ANPC1GAAHDAC1HDAC6
SCHEMBL727648 0.82 RAB9A (0.53) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL5473593 0.81 NPC1 (0.58) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL7199206 0.81 RAB9A (0.53) RAB9ANPC1GAAALOX15HDAC1
SCHEMBL8151740 0.80 NAAA (0.56) RAB9ANPC1NAAAALDH1A1CYP3A4
SCHEMBL8151739 0.80 NAAA (0.56) RAB9ANPC1NAAAALDH1A1CYP3A4
SCHEMBL6551341 0.80 NPC1 (0.56) RAB9ANPC1GAAALOX15HDAC1

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
EP-1048457-B1 Lithographic printing plate precursor FUJI PHOTO FILM CO LTD (JP) 2004-12-15 EP disclosed
US-6455224-B1 SUPPORT WITH HYDROPHILIC SURFACE AND PHOTOSENSITIVE LAYER CONTAINING INFRARED ABSORBENT WHICH CHANGES FROM HYDROPHILIC TO HYDROPHOBIC BY HEAT AND HYDROPHILIC POLYMER HAVING FUNCTIONAL GROUP RENDERING LAYER WATER DEVELOPABLE FUJI PHOTO FILM CO., LTD. (JP) 2002-09-24 US disclosed
EP-1048457-A2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2000-11-02 EP disclosed
US-4835312-A Production process of N-substituted amide compounds MITSUI CHEMICALS, INCORPORATED (JP) 1989-05-30 US disclosed