SCHEMBL4689119

SCHEMBL4689119

CCOC(OCC)(P=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
SRD5A2 P31213 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PLA2G4B P0C869 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
NR4A2 P43354 1/20 0.41
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
EPHX2 P34913 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL2209012 0.82 SRD5A2 (0.46) MEN1CYP1A2KMT2ASRD5A2ALDH1A1
SCHEMBL27876225 0.81 KIF11 (0.45) MEN1KMT2ASRD5A2RXRARXRB
SCHEMBL2574861 0.81 ESR1 (0.44) ALDH1A1TSHRCA1CA2
SCHEMBL28205756 0.80 KCNN4 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL11024100 0.78 KIF11 (0.38) ALDH1A1MAPTSMN1; SMN2
SCHEMBL28149485 0.77 LMNA (0.33) MEN1CYP1A2KMT2AALDH1A1MAPT
SCHEMBL18394270 0.76 GAA (0.41) MEN1CYP1A2KMT2AALDH1A1TP53
SCHEMBL28113310 0.75 ALDH1A1 (0.47) MEN1KMT2AALDH1A1TSHRMAPT
SCHEMBL11022686 0.74 CLK4 (0.42) KMT2AMAPT
SCHEMBL28741621 0.74 MEN1 (0.54) MEN1CYP1A2KMT2ASRD5A2ALDH1A1

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
CN-102471366-B 17-hydroxy-17-pentafluoroethylestra-4, 9(10) -diene 11-benzylidene derivatives, process for preparing them and their use for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-16 CN disclosed
CN-102471366-A 17-hydroxy-17-pentafluoroethylestra-4, 9(10) -diene 11-benzylidene derivatives, process for preparing them and their use for treating diseases BAYER SCHERING PHARMA AG 2012-05-23 CN disclosed
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 EP disclosed
CN-1950372-A imidazopyridine compounds BANYU PHARMA CO LTD (JP) 2007-04-18 CN disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 WO disclosed