SCHEMBL7360102

SCHEMBL7360102

CC(=O)Nc1ccccc1OCC(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.69
LMNA P02545 6/20 0.64
RAB9A P51151 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.62
POLB P06746 2/20 0.62
KDM4E B2RXH2 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.60
KMT2A Q03164 2/20 0.60
GLA P06280 1/20 0.57
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 1/20 0.54
CYP2C19 P33261 1/20 0.54
TSHR P16473 1/20 0.53
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL6212540 0.85 BRD4 (0.63) BRD4LMNARAB9AL3MBTL1POLB
SCHEMBL11546122 0.84 LMNA (0.75) BRD4LMNARAB9AL3MBTL1POLB
SCHEMBL12017468 0.83 L3MBTL1 (0.61) BRD4LMNARAB9AL3MBTL1POLB
SCHEMBL1645837 0.83 GAA (0.73) BRD4LMNAL3MBTL1POLBKDM4E
SCHEMBL31562821 0.82 PTGDR2 (0.50) BRD4LMNARAB9AL3MBTL1POLB
SCHEMBL8924076 0.82 BRD4 (1.00) BRD4LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL12427892 0.82 MAPK1 (0.58) LMNARAB9AL3MBTL1POLBSMN1; SMN2
SCHEMBL9197891 0.81 PKM (0.54) BRD4LMNARAB9AL3MBTL1POLB
SCHEMBL9570553 0.81 LMNA (0.67) BRD4LMNARAB9AL3MBTL1POLB
SCHEMBL7475529 0.81 BRD4 (0.67) BRD4LMNARAB9AL3MBTL1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154969-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES INC (US) 2019-10-09 EP disclosed
EP-2935243-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2015-10-28 EP disclosed
WO-2014100730-A1 PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF Epizyme, Inc. (US) 2014-06-26 WO disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
US-4600797-A NITRATING AN AMINOBENZENE WHICH HAS A PROTECTEDD AMINO GROUP BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US disclosed
EP-0049711-B1 PROCESS FOR THE PRODUCTION OF NITRO-AMINO-BENZENES BAYER AG (DE) 1984-02-29 EP disclosed
EP-0049711-A1 Process for the production of nitro-amino-benzenes BAYER AG (DE) 1982-04-21 EP disclosed