SCHEMBL10396115

SCHEMBL10396115

CCCCCc1ccc(OCC(=O)Cl)c(CCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
APAF1 O14727 2/20 0.52
THRB P10828 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAD52 P43351 2/20 0.51
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 1/20 0.47
PPARA Q07869 4/20 0.46

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
SCHEMBL8166807 0.87 TSHR (0.61) HTTMAPTMAPK1APAF1THRB
SCHEMBL586998 0.87 HTT (0.53) HTTMAPTMAPK1APAF1THRB
SCHEMBL586997 0.86 HTT (0.52) HTTMAPTMAPK1APAF1THRB
SCHEMBL5696303 0.86 TSHR (0.64) HTTMAPTMAPK1APAF1THRB
SCHEMBL11576834 0.85 TSHR (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL11576738 0.85 TSHR (0.49) HTTMAPTMAPK1APAF1THRB
SCHEMBL11138297 0.85 PTGDR2 (0.52) MAPTMAPK1L3MBTL1MEN1KMT2A
SCHEMBL11403563 0.81 THRA (0.55) THRBL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL7813434 0.80 HTT (0.60) HTTMAPTMAPK1APAF1THRB
SCHEMBL11262533 0.79 HTT (0.67) HTTMAPTMAPK1APAF1THRB

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-4933465-A Magenta coupler CHEIL SYNTHETIC TEXTILE CO., LTD. (KR) 1990-06-12 US disclosed