SCHEMBL5080723

SCHEMBL5080723

O=C(c1ccccc1)C(O)[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@@](O)(C(=O)c2ccccc2)[C@@]1(O)C(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 1/20 0.36
PMP22 Q01453 1/20 0.36
HBB P68871 1/20 0.36
HSP90AA1 P07900 1/20 0.35
ESR1 P03372 1/20 0.33
TYMS P04818 1/20 0.33
RNASE1 P07998 1/20 0.33
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
GRIA1 P42261 1/20 0.31
GRIA2 P42262 1/20 0.31
GRIA3 P42263 1/20 0.31
GRIA4 P48058 1/20 0.31
GRIK5 Q16478 1/20 0.31
NT5E P21589 1/20 0.30
P2RY6 Q15077 1/20 0.30
P2RY14 Q15391 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
SCHEMBL9223581 0.88 RNASE1 (0.44) LMNARNASE1
SCHEMBL5610629 0.87 RNASE1 (0.32) RNASE1
SCHEMBL9221120 0.83 NT5E (0.36) NT5EP2RY6
SCHEMBL6256517 0.83 NT5E (0.36) NT5EP2RY6
SCHEMBL7868482 0.82 LMNA (0.43) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL794862 0.81 P2RY2 (0.31) MAPTP2RY6
SCHEMBL10458072 0.81 LMNA (0.39) LMNASMN1; SMN2MAPTTSHRPMP22
SCHEMBL2014365 0.75 CYP3A4 (0.38) NT5E
SCHEMBL20822313 0.75 CYP3A4 (0.38) NT5E
SCHEMBL8367093 0.74 SMN1; SMN2 (0.33) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080050425-A1 Combination Chemotherapy Comprising 5-Fluorouracil or a Derivative Thereof and a Liposomal Platinum Complex ANTIGENICS, INC. 2008-02-28 US disclosed
EP-1631301-A4 COMBINATION CHEMOTHERAPY COMPRISING 5-FLUOROURACIL OR A DERIVATIVE THEREOF AND A LIPOSOMAL PLATINUM COMPLEX ARONEX PHARMACEUTICALS INC (US) 2006-06-07 EP disclosed
EP-1631301-A1 COMBINATION CHEMOTHERAPY COMPRISING 5-FLUOROURACIL OR A DERIVATIVE THEREOF AND A LIPOSOMAL PLATINUM COMPLEX Aronex Pharmaceuticals Inc. (US) 2006-03-08 EP disclosed
WO-2004103382-A1 COMBINATION CHEMOTHERAPY COMPRISING 5-FLUOROURACIL OR A DERIVATIVE THEREOF AND A LIPOSOMAL PLATINUM COMPLEX ARONEX PHARMACEUTICALS, INC. (US) 2004-12-02 WO disclosed
US-4122251-A Process for production of 5-fluorouracil and its derivatives DAIKIN KOGYO CO., LTD. (JP) 1978-10-24 US disclosed