SCHEMBL9645501

SCHEMBL9645501

CCCCCN(CCCCC)C(=O)c1ccc(C(=O)N(CCCCC)CCCCC)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.63
ERBB2 P04626 2/20 0.63
HPGD P15428 4/20 0.60
GAA P10253 1/20 0.60
CNR2 P34972 1/20 0.56
MLYCD O95822 1/20 0.56
TSHR P16473 1/20 0.54
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
ALDH1A1 P00352 2/20 0.49
HDAC3 O15379 1/20 0.48
HDAC2 Q92769 1/20 0.48

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
SCHEMBL10759435 0.98 EGFR (0.61) EGFRERBB2HPGDGAACNR2
SCHEMBL10725111 0.98 EGFR (0.61) EGFRERBB2HPGDGAACNR2
SCHEMBL10758915 0.98 EGFR (0.61) EGFRERBB2HPGDGAACNR2
SCHEMBL6674114 0.94 EGFR (0.70) EGFRERBB2HPGDGAACNR2
SCHEMBL9645497 0.93 GAA (0.58) EGFRERBB2HPGDGAACNR2
SCHEMBL11752532 0.93 EGFR (0.56) EGFRERBB2HPGDGAACNR2
SCHEMBL10767369 0.91 RARB (0.57) EGFRERBB2HPGDGAACNR2
SCHEMBL21708320 0.91 HSD17B3 (0.57) EGFRERBB2HPGDGAACNR2
SCHEMBL10761149 0.91 RARB (0.57) EGFRERBB2HPGDGAACNR2
SCHEMBL10762716 0.91 RARB (0.57) EGFRERBB2HPGDGAACNR2

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-5137786-A Repetitive printing KONICA CORPORATION (JP) 1992-08-11 US disclosed
US-4828922-A FUSIBLE COLORING LAYER CONTAINING POLAR COMPOUNDS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1989-05-09 US disclosed