SCHEMBL7759709

SCHEMBL7759709

CC(C)c1ccc(C(C)(N=C=O)N=C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
PTPN5 P54829 1/20 0.38
TYR P14679 2/20 0.36
ACE P12821 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.32
KIF11 P52732 1/20 0.32
PYCR1 P32322 1/20 0.32
PDE2A O00408 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GRIA4 P48058 1/20 0.30
USP5 P45974 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
SCHEMBL10417019 0.85 CYP2C9 (0.43) CYP2C9CYP2D6HIF1APTPN5TYR
SCHEMBL6273180 0.79 TSHR (0.42) CYP2C9CYP2D6HIF1ATYRALDH1A1
SCHEMBL167876 0.78 TSHR (0.46) ALDH1A1NPC1RAB9A
SCHEMBL2068288 0.75 MAPK1 (0.39) HIF1AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7190617 0.75 ALDH1A1 (0.36) ALDH1A1KDM4E
SCHEMBL4842726 0.73 PYCR1 (0.39) CYP2C9CYP2D6HIF1ATYRACE
SCHEMBL19057995 0.70 CYP2C9 (0.47) CYP2C9CYP2D6HIF1APTPN5TYR
SCHEMBL548066 0.69 TSHR (0.50) CYP2C9CYP2D6HIF1APTPN5TYR
SCHEMBL6281512 0.69 CYP2C9 (0.50) CYP2C9CYP2D6HIF1APTPN5TYR
SCHEMBL16191360 0.69 CYP2C9 (0.50) CYP2C9CYP2D6HIF1APTPN5TYR

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
EP-0818488-B1 Acylsuccinic acid polyesters, process for their preparation and their utilization for duromers and coatings BAYER AG (DE) 2001-03-21 EP disclosed
US-5929197-A Acylsuccinic acid polyesters, a process for their preparation and their use in thermosetting plastics and coatings BAYER AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
EP-0818488-A1 Acylsuccinic acid polyesters, process for their preparation and their utilization for duromers and coatings BAYER AG (DE) 1998-01-14 EP disclosed