SCHEMBL12021972

SCHEMBL12021972

CCCCCCC/C(=N\OC(=O)c1ccccc1)C(=O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
KLF5 Q13887 2/20 0.38
TNF P01375 1/20 0.38
NOD1 Q9Y239 1/20 0.38
NR2F2 P24468 1/20 0.37
PAX8 Q06710 1/20 0.37
PTPN1 P18031 1/20 0.37
ACP1 P24666 1/20 0.37
CDC25B P30305 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL103376 1.00 CES2 (0.48) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL22729193 1.00 CES2 (0.48) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL92006 1.00 CES2 (0.48) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL123398 1.00 CES2 (0.48) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL149909 0.99 CES2 (0.47) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL149908 0.99 CES2 (0.47) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL13009339 0.99 CES2 (0.47) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL28941349 0.97 CES2 (0.45) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL17069979 0.96 CES2 (0.46) CES2CES1ALDH1A1HPGDSMN1; SMN2
SCHEMBL21409907 0.95 CES2 (0.46) CES2CES1ALDH1A1HPGDSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294050-A1 PIGMENT DISPERSION COMPOSITION, RED COLORED COMPOSITION, COLORED CURABLE COMPOSITION, COLOR FILTER FOR A SOLID STATE IMAGING DEVICE AND METHOD FOR PRODUCING THE SAME, AND SOLID STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2011-12-01 US disclosed
US-20110294050-A1 PIGMENT DISPERSION COMPOSITION, RED COLORED COMPOSITION, COLORED CURABLE COMPOSITION, COLOR FILTER FOR A SOLID STATE IMAGING DEVICE AND METHOD FOR PRODUCING THE SAME, AND SOLID STATE IMAGING DEVICE FUJIFILM CORPORATION (JP) 2011-12-01 US disclosed