SCHEMBL7526397

SCHEMBL7526397

[c]1cccc(OCc2ccc3c(c2)OCO3)c1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MAOB P27338 6/20 0.48
FAAH O00519 1/20 0.43
MGLL Q99685 1/20 0.43
CYP3A4 P08684 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
MAOA P21397 4/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EDNRB P24530 1/20 0.40
EDNRA P25101 1/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7524792 0.81 KMT2A (0.49) KMT2ATDP1L3MBTL1MAOBFAAH
SCHEMBL11663617 0.75 MAOB (0.68) KMT2ATDP1L3MBTL1MAOBFAAH
SCHEMBL11698521 0.74 MAOB (0.71) KMT2ATDP1L3MBTL1MAOBCYP3A4
SCHEMBL1299344 0.73 KMT2A (1.00) KMT2ATDP1L3MBTL1MAOBCYP3A4
SCHEMBL1155269 0.72 KMT2A (0.62) KMT2ATDP1L3MBTL1MAOBCYP3A4
SCHEMBL8035300 0.71 VKORC1 (0.41) TDP1HPGDSMN1; SMN2
SCHEMBL5798301 0.71 VKORC1 (0.41) KDM4EEDNRBEDNRAHPGD
SCHEMBL11613149 0.70 MAOB (0.73) KMT2ATDP1L3MBTL1MAOBMAOA
SCHEMBL11559934 0.70 MAOB (0.68) KMT2ATDP1L3MBTL1MAOBCYP3A4
SCHEMBL3220077 0.69 NPC1 (0.56) KMT2ATDP1L3MBTL1MAOBCYP3A4

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-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP claimed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO claimed