SCHEMBL6423573

SCHEMBL6423573

O=C(O)OC(CC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.38
ALDH1A1 P00352 5/20 0.38
TDP1 Q9NUW8 3/20 0.38
PKM P14618 3/20 0.34
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL3363142 0.87 KDM4E (0.35) KDM4EALDH1A1TDP1PKMLMNA
SCHEMBL24355008 0.85 KDM4E (0.34) KDM4EALDH1A1TDP1PKMMAPT
SCHEMBL3364020 0.83 KDM4E (0.33) KDM4EALDH1A1TDP1POLBALOX15
SCHEMBL14468756 0.83 KDM4E (0.36) KDM4EALDH1A1TDP1PKMLMNA
SCHEMBL14468501 0.83 KDM4E (0.36) KDM4EALDH1A1TDP1PKMLMNA
SCHEMBL3362486 0.78 KDM4E (0.38) KDM4EALDH1A1TDP1TSHRPOLB
SCHEMBL15492228 0.78 KDM4E (0.35) KDM4EALDH1A1TDP1TSHRKMT2A
SCHEMBL12460485 0.78 KDM4E (0.32) KDM4EALDH1A1TDP1PKMMAPT
SCHEMBL4953549 0.75 KDM4E (0.37) KDM4EALDH1A1TDP1PKMLMNA
SCHEMBL3364410 0.74 KDM4E (0.34) KDM4EALDH1A1TDP1PKMLMNA

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-20050032997-A1 Low polydispersity resin, and preparation thereof INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2005-02-10 US disclosed