SCHEMBL8656126

SCHEMBL8656126

CCOC(=O)c1nc(F)c(C)c(F)c1C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 2/20 0.41
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8657840 0.84 ALDH1A1 (0.40) PDE4DALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL18774743 0.78 HPGD (0.55) PDE4DALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL21860524 0.75 KDM5B (0.43) ALDH1A1CYP1A2MAPTGAANPC1
SCHEMBL522227 0.73 ESR1 (0.55) PDE4DALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL1311415 0.72 ALDH1A1 (0.46) ALDH1A1CYP1A2HPGDSMN1; SMN2MAPT
SCHEMBL196046 0.72 ESR1 (0.53) PDE4DALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL6578769 0.72 SMN1; SMN2 (0.53) PDE4DALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL18774733 0.70 HPGD (0.47) PDE4DALDH1A1CYP1A2HPGDSMN1; SMN2
SCHEMBL522219 0.70 ESR1 (0.52) PDE4DALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9088909 0.70 HPGD (0.44) PDE4DALDH1A1CYP1A2HPGDSMN1; 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-5840904-A Fluoro-pyridine-2,3-dicarboxylic anhydrides which are intermediates for herbicidal pyridine-2,3-dicarboximides BASF AKTIENGESELLSCHAFT (DE) 1998-11-24 US disclosed
US-5679622-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed