SCHEMBL11275239

SCHEMBL11275239

CCOC(=O)C(CCc1ccc(F)cc1)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX12 P18054 1/20 0.45
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43

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
SCHEMBL7056453 0.92 EPHX2 (0.42) TDP1MEN1KMT2AEPHX2PPARG
SCHEMBL29681728 0.91 TDP1 (0.51) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL11205217 0.90 TDP1 (0.51) TDP1MEN1KMT2AEPHX2PPARG
SCHEMBL8841177 0.90 MEN1 (0.48) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL8365494 0.90 TDP1 (0.40) TDP1MEN1KMT2AEPHX2PPARG
SCHEMBL11276809 0.86 MEN1 (0.59) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL10757869 0.85 CYP4F2 (0.60) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL10755378 0.85 CYP4F2 (0.47) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL11203469 0.84 TDP1 (0.48) TDP1MEN1KMT2AEPHX2PPARG
SCHEMBL2631506 0.84 EPHX2 (0.43) TDP1MEN1KMT2AEPHX2PPARG

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
EP-0064244-A1 Spermicidal 1-bis(arylalkyl)alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-11-10 EP disclosed