SCHEMBL18910263

SCHEMBL18910263

CCCCC(CCN)CCCI

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.38
DNM1 Q05193 9/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
LMNA P02545 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL18874844 0.91 ALDH1A1 (0.39) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL9950032 0.90 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL642452 0.90 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL239620 0.85 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL28084087 0.85 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL18480819 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL27296092 0.83 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL24063969 0.82 NFKB1 (0.32) TSHRDNM1LMNA
SCHEMBL1261716 0.82 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRDNM1
SCHEMBL15027453 0.82 ALDH1A1 (0.44) ALDH1A1TDP1CYP3A4TSHRDNM1

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-20170155358-A1 COMPOSITE SOLAR CELL, SOLAR CELL MODULE, AND CONCENTRATING SOLAR CELL KANEKA CORPORATION (JP) 2017-06-01 US disclosed