SCHEMBL6095745

SCHEMBL6095745

O=C(O)CC(NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.48
MME P08473 1/20 0.45
P2RX1 P51575 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
CTSA P10619 4/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
FFAR1 O14842 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EEF2K O00418 1/20 0.40
PADI4 Q9UM07 1/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 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
SCHEMBL6099049 0.89 CTSA (0.50) CYP26A1CTSAFFAR1EEF2K
SCHEMBL6097767 0.88 CTSA (0.51) MMECTSAFFAR1EEF2K
SCHEMBL5926264 0.86 L3MBTL1 (0.43) CYP26A1MMEP2RX1TMPRSS4CTSA
SCHEMBL6097852 0.86 CTSA (0.52) MMECTSAFFAR1
SCHEMBL6098436 0.85 CTSA (0.51) CYP26A1MMECTSAFFAR1
SCHEMBL6095738 0.85 KIFC1 (0.52) MMEP2RX1TMPRSS4MEN1LMNA
SCHEMBL6100717 0.84 MME (0.49) MMECTSAFFAR1
SCHEMBL5926837 0.83 P2RX1 (0.45) P2RX1TMPRSS4MEN1LMNAMAPT
SCHEMBL4831680 0.83 TACR3 (0.48) CYP26A1MMECTSAMEN1LMNA
SCHEMBL5926866 0.82 ABCB1 (0.48) CYP26A1MMEP2RX1MEN1LMNA

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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US disclosed