SCHEMBL11061853

SCHEMBL11061853

COc1c(Cl)cccc1NC(C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.42
CXCL8 P10145 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
DGAT1 O75907 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
NOTUM Q6P988 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL11201546 1.00 RAF1 (0.42) RAF1CXCL8ALDH1A1KDM4EHSD17B10
SCHEMBL11062000 0.89 RAF1 (0.42) RAF1CXCL8ALDH1A1KDM4EHSD17B10
SCHEMBL11203488 0.82 MEN1 (0.47) CXCL8ALDH1A1LMNAHTTKMT2A
SCHEMBL11203494 0.82 MEN1 (0.47) CXCL8ALDH1A1LMNAHTTKMT2A
SCHEMBL11197993 0.82 KCNQ2 (0.48) CXCL8ALDH1A1KDM4ELMNAHTT
SCHEMBL11197989 0.82 KCNQ2 (0.48) CXCL8ALDH1A1KDM4ELMNAHTT
SCHEMBL21965754 0.78 NR4A2 (0.43) RAF1ALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL11059556 0.77 CXCL8 (0.49) CXCL8LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11196881 0.77 CXCL8 (0.49) CXCL8LMNAHPGDSMN1; SMN2MAPT
SCHEMBL11059118 0.76 KMT2A (0.50) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464307-A Substituted acid chloride process ZOECON CORPORATION (US) 1984-08-07 US disclosed
US-4411912-A Insecticidal isovaleric acid esters ZOECON CORPORATION (US) 1983-10-25 US disclosed
US-4243819-A Substituted amino acids ZOECON CORPORATION (US) 1981-01-06 US disclosed