SCHEMBL9062152

SCHEMBL9062152

CCCCC[CH]CCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
ALDH2 P05091 1/20 0.56
ALDH3A1 P30838 1/20 0.56
CDC25A P30304 10/20 0.55
CES1 P23141 2/20 0.55
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL8331371 0.92 TDP1 (0.54) CDC25ACES1TDP1L3MBTL1
SCHEMBL29418113 0.90 ALDH1A1 (0.67) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL45324 0.90 ALDH1A1 (0.67) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL8008712 0.89 MGLL (0.62) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL8008707 0.89 MGLL (0.62) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL23731163 0.88 CES1 (0.68) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL8862943 0.88 CES1 (0.68) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL10725536 0.88 CES1 (0.68) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL732925 0.88 CES1 (0.68) ALDH1A1ALDH2ALDH3A1CDC25ACES1
SCHEMBL9626594 0.88 CES1 (0.68) ALDH1A1ALDH2ALDH3A1CDC25ACES1

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-5571388-A Sequencing near infrared and infrared fluorescense labeled DNA for detecting using laser diodes and suitable labels thereof LI-COR, INC. (US) 1996-11-05 US disclosed