SCHEMBL11479331

SCHEMBL11479331

CCCCCCCCCCCCCCCCNc1ccc(NCC)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
PLK1 P53350 3/20 0.43
IDO1 P14902 1/20 0.42
PNLIP P16233 1/20 0.42
NAAA Q02083 1/20 0.41
EGFR P00533 2/20 0.41
SYK P43405 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GPR84 Q9NQS5 4/20 0.39
KCNH3 Q9ULD8 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL3319477 0.92 ABL1 (0.50) ABL1PLK1IDO1PNLIPNAAA
SCHEMBL9484979 0.83 ABL1 (0.55) ABL1PNLIPNAAAEGFRSYK
SCHEMBL11477821 0.82 KCNH3 (0.50) ABL1PLK1IDO1NAAAALDH1A1
SCHEMBL27494174 0.81 ALDH1A1 (0.55) ABL1PLK1PNLIPNAAAEGFR
SCHEMBL10566482 0.81 KDM5A (0.44) ABL1PLK1PNLIPNAAAEGFR
SCHEMBL6673911 0.80 PLK1 (0.46) ABL1PLK1PNLIPNAAAEGFR
SCHEMBL7951728 0.79 ABL1 (0.51) ABL1PLK1PNLIPNAAAEGFR
SCHEMBL11487630 0.79 ABL1 (0.51) ABL1PLK1PNLIPNAAAEGFR
SCHEMBL11487546 0.79 ABL1 (0.68) ABL1PNLIPNAAAEGFRSYK
SCHEMBL9650900 0.79 ABL1 (0.50) ABL1PLK1IDO1PNLIPNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4200466-A Light-sensitive silver halide photographic materials KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-04-29 US claimed
US-4200466-A Light-sensitive silver halide photographic materials KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1980-04-29 US disclosed