SCHEMBL15976161

SCHEMBL15976161

CC1=C(C)C(=O)N(CCNCCN2C(=O)C(C)=C(C)C2=O)C1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
HEXA P06865 9/20 0.46
HEXB P07686 9/20 0.46
OGA O60502 2/20 0.46
SIRT1 Q96EB6 3/20 0.42
TERT O14746 1/20 0.41

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
SCHEMBL16864026 0.98 ALDH1A1 (0.48) ALDH1A1PKMHEXAHEXBOGA
SCHEMBL10901592 0.81 ALDH1A1 (0.61) ALDH1A1PKMTERT
SCHEMBL21384145 0.78 ALDH1A1 (0.59) ALDH1A1PKM
SCHEMBL15975535 0.76 ALDH1A1 (0.56) ALDH1A1PKMTERT
SCHEMBL10703043 0.74 ALDH1A1 (0.54) ALDH1A1PKM
SCHEMBL15975537 0.74 ALDH1A1 (0.54) ALDH1A1PKM
SCHEMBL8741995 0.72 ALDH1A1 (0.52) ALDH1A1PKM
SCHEMBL21384271 0.72 ALDH1A1 (0.52) ALDH1A1PKMHEXAHEXB
SCHEMBL10795789 0.72 ALDH1A1 (0.52) ALDH1A1PKMTERT
SCHEMBL21858491 0.70 ALDH1A1 (0.50) ALDH1A1PKMHEXAHEXBTERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815980-B2 Ink composition for inkjet recording, inkjet recording method and printed material obtained by inkjet recording FUJIFILM CORPORATION (JP) 2014-08-26 US disclosed