SCHEMBL11040347

SCHEMBL11040347

CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c(C(F)(F)C(F)(F)F)c1C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
PDE4D Q08499 1/20 0.43
GAA P10253 3/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MTOR P42345 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL10940732 0.90 KMT2A (0.55) KDM4EMAPTKMT2APOLBHPGD
SCHEMBL10943737 0.85 HPGD (0.49) KDM4EMAPTKMT2APOLBHPGD
SCHEMBL1929497 0.73 KDM4E (0.44) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL2350891 0.72 KDM4E (0.54) KDM4EMAPTKMT2APOLBHPGD
SCHEMBL10369208 0.71 KDM4E (0.50) KDM4EMAPTKMT2APOLBHPGD
SCHEMBL11008658 0.71 ALDH1A1 (0.62) KDM4EMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL68410 0.70 SMN1; SMN2 (0.71) KDM4EMAPTKMT2APOLBHPGD
SCHEMBL7470961 0.68 PDE4D (0.65) KDM4EMAPTKMT2APOLBHPGD
SCHEMBL522227 0.68 ESR1 (0.55) KDM4EMAPTKMT2AHPGDSMN1; SMN2
SCHEMBL29202767 0.67 HPGD (0.56) KDM4EMAPTKMT2APOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4461642-A 2,5-BIS(PERFLUOROALKYL)-3,4-PYRROLEDICARBOXYLATES MONSANTO COMPANY (US) 1984-07-24 US disclosed