SCHEMBL6987344

SCHEMBL6987344

CC(C)(C)NC(=O)Oc1cc(-c2ccc(F)cc2)cc(=O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
PGR P06401 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP1B1 Q16678 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
KCNA5 P22460 2/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL6989070 0.88 LMNA (0.43) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6987318 0.80 CYP3A4 (0.35) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6703223 0.77 ALDH1A1 (0.40) MAPTPOLBPGRLMNATP53
SCHEMBL6988241 0.76 PGR (0.41) PGRKCNA5CNR2TBXA2R
SCHEMBL27670799 0.71 ALDH1A1 (0.48) MAPTLMNAALDH1A1KDM4ECYP1A2
SCHEMBL28134351 0.68 ANO1 (0.41) LMNAALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL27641592 0.67 HDAC1 (0.38) LMNAALDH1A1NPC1RAB9ATBXA2R
SCHEMBL6703548 0.65 NPC1 (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL27797978 0.64 KEAP1 (0.40) LMNAALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL27667935 0.64 FFAR1 (0.40) MAPTMEN1ALOX12KMT2ALMNA

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
EP-1324984-A1 BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS Morphochem AG (DE) 2003-07-09 EP disclosed
WO-2002030892-A1 BUTENOLIDE AND PENTENOLIDE DERIVATIVES AS KINASE INHIBITORS MORPHOCHEM AG (DE) 2002-04-18 WO disclosed