SCHEMBL9736774

SCHEMBL9736774

CCCCC(=O)NCC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
EPHX2 P34913 4/20 0.55
POLB P06746 1/20 0.53
FAAH O00519 2/20 0.51
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CNR1 P21554 2/20 0.49
CNR2 P34972 1/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 2/20 0.49
PPID Q08752 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL28270211 0.96 EPHX2 (0.61) MEN1KMT2AEPHX2POLBFAAH
SCHEMBL22271589 0.94 EPHX2 (0.63) MEN1KMT2AEPHX2FAAHHPGD
SCHEMBL2431411 0.92 EPHX2 (0.60) MEN1KMT2AEPHX2FAAHHPGD
SCHEMBL9196679 0.89 EPHX2 (0.50) MEN1KMT2AEPHX2POLBFAAH
SCHEMBL29523215 0.86 LMNA (0.56) MEN1KMT2AHPGDALDH1A1CNR1
SCHEMBL25365126 0.86 HDAC1 (0.55) MEN1KMT2AHPGDL3MBTL1TSHR
SCHEMBL13296294 0.85 KMT2A (0.56) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL23491692 0.85 MEN1 (0.49) MEN1KMT2AHPGDGAAALDH1A1
SCHEMBL22996060 0.84 MEN1 (0.51) MEN1KMT2AEPHX2FAAHGAA
SCHEMBL9391884 0.84 MEN1 (0.55) MEN1KMT2AHPGDALDH1A1MAPK1

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-0489070-A1 NOVEL INHIBITORS OF THROMBIN. BIOGEN INC (US) 1992-06-10 EP disclosed