SCHEMBL4953549

SCHEMBL4953549

O=C(O)CC(OCC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 3/20 0.37
PKM P14618 3/20 0.33
EPHX2 P34913 2/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL14468756 0.79 KDM4E (0.36) KDM4EALDH1A1TDP1PKMMAPT
SCHEMBL14468501 0.79 KDM4E (0.36) KDM4EALDH1A1TDP1PKMMAPT
SCHEMBL14492549 0.77 KDM4E (0.35) KDM4EALDH1A1TDP1TSHRKMT2A
SCHEMBL18735683 0.76 KDM4E (0.39) KDM4EALDH1A1TDP1TSHRKMT2A
SCHEMBL19529511 0.76 ALDH1A1 (0.41) KDM4EALDH1A1TDP1EPHX2MAPT
SCHEMBL6423573 0.75 KDM4E (0.38) KDM4EALDH1A1TDP1PKMEPHX2
SCHEMBL16843122 0.75 KDM4E (0.40) KDM4EALDH1A1TDP1PKMEPHX2
SCHEMBL24142269 0.72 KDM4E (0.33) KDM4EALDH1A1TDP1PKMEPHX2
SCHEMBL17357485 0.72 KDM4E (0.42) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL14492550 0.72 KDM4E (0.36) KDM4EALDH1A1TSHRPOLBALOX15

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-7470499-B2 Alicyclic unsaturated compound, polymer, chemically amplified resist composition and method for forming pattern using said composition NEC CORPORATION (JP) 2008-12-30 US disclosed
US-20060073408-A1 Alicyclic unsaturated compound, polymer, chemically amplified resist composition and method for forming pattern using said composition NEC CORPORATION (JP) 2006-04-06 US disclosed