SCHEMBL15938581

SCHEMBL15938581

CCOC(=O)CCc1ccc(C(=O)Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.57
CYP4A11 Q02928 2/20 0.57
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 5/20 0.50
EPHX2 P34913 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
ALOX5 P09917 1/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7766764 0.84 CYP4F2 (0.70) CYP4F2CYP4A11TDP1MAPTEPHX2
SCHEMBL2773677 0.82 FFAR1 (0.66) CYP4F2CYP4A11TDP1MAPTEPHX2
SCHEMBL16812850 0.82 KMT2A (0.64) KMT2ATDP1MAPTMEN1ALDH1A1
SCHEMBL3771392 0.82 KMT2A (0.56) KMT2ATDP1MAPTMEN1ALDH1A1
SCHEMBL5793276 0.82 MAPT (0.62) KMT2ATDP1MAPTKDM4EMEN1
Ethyl 3-Phenylpropanoate SCHEMBL304816 0.82 TDP1 (0.75) CYP4F2CYP4A11TDP1MAPTALDH1A1
SCHEMBL1943990 0.81 CYP4F2 (0.70) CYP4F2CYP4A11KMT2ATDP1MAPT
SCHEMBL5706102 0.80 RAB9A (0.57) KMT2ATDP1MAPTMEN1ALDH1A1
Ethyl 3-Phenylpropanoate SCHEMBL7440447 0.80 TDP1 (0.72) CYP4F2CYP4A11TDP1MAPTALDH1A1
SCHEMBL26038913 0.80 PARP10 (0.56) KMT2ATDP1MAPTMEN1ALDH1A1

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
EP-2956444-B1 POSACONAZOLE IMMUNOASSAYS ARK DIAGNOSTICS INC (US) 2018-05-30 EP disclosed
US-9920136-B2 Posaconazole immunoassays ARK DIAGNOSTICS, INC. (US) 2018-03-20 US disclosed
EP-2956444-A1 POSACONAZOLE IMMUNOASSAYS ARK Diagnostics, Inc. (US) 2015-12-23 EP disclosed
WO-2014126861-A1 POSACONAZOLE IMMUNOASSAYS ARK DIAGNOSTICS, INC. (US) 2014-08-21 WO disclosed
US-20140227717-A1 Posaconazole Immunoassays ARES CAPITAL CORPORATION, AS ADMINISTRATIVE AGENT 2014-08-14 US disclosed