SCHEMBL7709972

SCHEMBL7709972

CC(C)(C)OC(=O)N[CH]CC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARA Q07869 1/20 0.44
IDO1 P14902 1/20 0.43
AKT1 P31749 2/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 2/20 0.42
MAPT P10636 1/20 0.42
CTSB P07858 1/20 0.42

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
SCHEMBL8319689 0.86 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1SMN1; SMN2CA12
SCHEMBL7881460 0.81 PPARA (0.52) SYKL3MBTL1KLK7KLK5CA12
SCHEMBL8238491 0.80 SYK (0.61) SYKALDH1A1MAPK1L3MBTL1CA12
SCHEMBL5041887 0.80 CA12 (0.51) SYKL3MBTL1CA12CA1CA7
SCHEMBL6691620 0.80 SYK (0.46) SYKALDH1A1MAPK1L3MBTL1KLK7
SCHEMBL28083902 0.78 HCAR2 (0.54) SYKALDH1A1SMN1; SMN2CA12CA1
SCHEMBL6610543 0.78 PPARA (0.47) SYKL3MBTL1CA12CA1CA7
SCHEMBL1261932 0.78 SYK (0.50) SYKALDH1A1MAPK1L3MBTL1KLK7
SCHEMBL421286 0.78 SYK (0.61) SYKALDH1A1SMN1; SMN2CA12CA1
SCHEMBL394244 0.78 ALDH1A1 (0.56) SYKALDH1A1MAPK1L3MBTL1SMN1; 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-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed