SCHEMBL7034979

SCHEMBL7034979

Cc1ccc(N(C)C(=O)O)c(C)c1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.36
MCL1 Q07820 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
FSCN1 Q16658 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NR3C1 P04150 1/20 0.30
TDP2 O95551 1/20 0.30
NSD2 O96028 1/20 0.30
HSP90AA1 P07900 1/20 0.30
PAX8 Q06710 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL7533574 0.93 NCEH1 (0.36) NCEH1MCL1KMT2AMEN1LMNA
SCHEMBL11219137 0.82 FSCN1 (0.36) NCEH1MCL1KMT2AMEN1FSCN1
SCHEMBL11512487 0.82 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1LMNATRPM8
SCHEMBL28986106 0.78 GAA (0.43) KMT2AMEN1ALDH1A1LMNATRPM8
SCHEMBL11813115 0.76
SCHEMBL11813128 0.76
SCHEMBL11184627 0.73 POLB (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL935058 0.73 MEN1 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2
Benzene SCHEMBL28335658 0.72 TRPM8 (0.50) KMT2AALDH1A1LMNATRPM8
SCHEMBL1029152 0.72 TRPM8 (0.50) KMT2AALDH1A1LMNATRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109450-B1 MICROCAPSULE FORMULATIONS BAYER CROPSCIENCE AG (DE) 2003-02-19 EP disclosed
EP-1109449-B1 MICROCAPSULE FORMULATIONS BAYER AG (DE) 2002-11-06 EP disclosed
EP-1109450-A1 MICROCAPSULE FORMULATIONS BAYER AG (DE) 2001-06-27 EP disclosed
EP-1109449-A1 MICROCAPSULE FORMULATIONS BAYER AG (DE) 2001-06-27 EP disclosed
WO-2000013504-A1 MICROCAPSULE FORMULATIONS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-16 WO disclosed
WO-2000013503-A1 MICROCAPSULE FORMULATIONS BAYER AKTIENGESELLSCHAFT (DE) 2000-03-16 WO disclosed