SCHEMBL7857971

SCHEMBL7857971

COc1cc(OC(=O)C(F)(F)F)cc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
ALOX15 P16050 1/20 0.41
CDC25B P30305 4/20 0.41
NQO1 P15559 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
MAPT P10636 1/20 0.39
ESR1 P03372 1/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL7857968 0.83 KDM4E (0.45) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL22967441 0.80 POLB (0.39) KDM4EALDH1A1HPGDCDC25BMEN1
SCHEMBL443362 0.76 NQO1 (0.57) KDM4EALDH1A1HPGDCDC25BNQO1
SCHEMBL29370537 0.76 NQO1 (0.57) KDM4EALDH1A1HPGDCDC25BNQO1
SCHEMBL8169209 0.75 CA12 (0.52) KDM4EALDH1A1KMT2AMAPT
SCHEMBL1896897 0.75 KMT2A (0.56) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL7857849 0.74 NQO1 (0.55) KDM4EALDH1A1HPGDALOX15CDC25B
SCHEMBL23043732 0.74 ELANE (0.43) KDM4EALDH1A1HSD17B10
SCHEMBL28317882 0.74 NCEH1 (0.36) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL4082182 0.73 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A

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-6245746-B1 ADMINISTERING AMIDE MICROBIOCIDE ANTIBIOTIC MICROCIDE PHARMACEUTICALS, INC. 2001-06-12 US disclosed
US-6114310-A THERAPY FOR MICROBIAL INFECTIONS MICROCIDE PHARMACEUTICALS, INC. (US) 2000-09-05 US disclosed
WO-1999037667-A1 EFFLUX PUMP INHIBITORS MICROCIDE PHARMACEUTICALS, INC. (US) 1999-07-29 WO disclosed