SCHEMBL9166449

SCHEMBL9166449

Cc1cc(C)cc(OCC(O)CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.70
RAB9A P51151 2/20 0.59
TSHR P16473 1/20 0.58
MEN1 O00255 2/20 0.56
GAA P10253 1/20 0.56
NTSR1 P30989 1/20 0.56
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.52
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL772374 0.78 KMT2A (0.69) KMT2ARAB9ATSHRMEN1MAPK1
SCHEMBL18527815 0.77 KMT2A (0.72) KMT2ARAB9AMEN1MAPK1HPGD
SCHEMBL18527818 0.77 KMT2A (0.72) KMT2ARAB9AMEN1MAPK1HPGD
SCHEMBL11195417 0.77 KMT2A (0.60) KMT2ARAB9AMEN1GAANTSR1
SCHEMBL10817898 0.77 KMT2A (0.60) KMT2ARAB9AMEN1GAANTSR1
SCHEMBL15293255 0.77 TSHR (0.59) KMT2ATSHRMEN1GAANTSR1
SCHEMBL9174228 0.77 KMT2A (0.78) KMT2ARAB9ATSHRMAPK1HPGD
SCHEMBL10608854 0.76 KMT2A (0.73) KMT2ARAB9AMAPK1HPGDLMNA
SCHEMBL10603852 0.76 KMT2A (0.70) KMT2ARAB9ATSHRMEN1GAA
SCHEMBL14948534 0.76 MAPK1 (0.69) KMT2ARAB9ATSHRMEN1MAPK1

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-0649402-A1 PRO-DRUG CAPABLE OF RELEASING AN OXAZOLIDINONE AND, IF NEED BE, AN ACETAMIDOPHENOL UNIVERSITE PAUL SABATIER (TOULOUSE III) (FR) 1995-04-26 EP disclosed
WO-1994001395-A1 PRO-DRUG CAPABLE OF RELEASING AN OXAZOLIDINONE AND, IF NEED BE, AN ACETAMIDOPHENOL UNIVERSITE PAUL SABATIER TOULOUSE III (FR) 1994-01-20 WO disclosed