SCHEMBL11076358

SCHEMBL11076358

CCCCC(CC)(C(=O)c1ccc(OC)cc1)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC2 Q92769 2/20 0.45
HTT P42858 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
MEN1 O00255 1/20 0.40
CYP2D6 P10635 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
GSK3B P49841 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 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
SCHEMBL9681725 0.83 HDAC1 (0.47) HDAC3HDAC1HDAC2KDM4EMEN1
SCHEMBL8898907 0.80 PKM (0.46) HDAC3HDAC1HDAC2HTTCES2
SCHEMBL4651504 0.78 ACHE (0.51) HTTKDM4ECES2CES1MEN1
SCHEMBL10385989 0.78 HDAC3 (0.48) HDAC3HDAC1HDAC2HTTKDM4E
SCHEMBL4651502 0.76 ACHE (0.48) CES2CES1MEN1KMT2AALDH1A1
SCHEMBL7929627 0.76 NR1I2 (0.47) MEN1KMT2AALDH1A1HPGDNR1I2
SCHEMBL11334011 0.76 CES2 (0.36) HTTCES2CES1MEN1KMT2A
SCHEMBL8898339 0.74 PKM (0.49) HDAC3HDAC1HDAC2HTTCES2
SCHEMBL6254562 0.73 CES2 (0.53) HDAC3HDAC1HDAC2CES2CES1
SCHEMBL8899530 0.73 ACHE (0.51) HTTKDM4ECES2CES1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003002-B1 USE OF AROMATIC-ALIPHATIC KETONES AS PHOTOINITIATORS, PHOTOPOLYMERISABLE SYSTEMS CONTAINING SUCH KETONES AND AROMATIC-ALIPHATIC KETONES CIBA-GEIGY AG (CH) 1984-06-13 EP disclosed
US-4321118-A Bis benzoyl sensitizers for photopolymerization or photo cross linking process and composition CIBA-GEIGY CORPORATION (US) 1982-03-23 US disclosed
US-4318791-A PHOTOPOLYMERIZABLE SYSTEM FOR INKS CIBA-GEIGY CORPORATION (US) 1982-03-09 US disclosed
US-4315807-A Sensitizers for photopolymerization CIBA-GEIGY CORPORATION (US) 1982-02-16 US disclosed
EP-0003002-A2 Use of aromatic-aliphatic ketones as photoinitiators, photopolymerisable systems containing such ketones and aromatic-aliphatic ketones CIBA-GEIGY AG (CH) 1979-07-11 EP disclosed