SCHEMBL2425881

SCHEMBL2425881

CCOC(=O)c1ccc(F)cc1.CCOC(=O)c1ccc(N2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
MAPT P10636 2/20 0.47
CASP3 P42574 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
CETP P11597 1/20 0.45

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
SCHEMBL1743474 0.94 MEN1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2POLB
SCHEMBL6132298 0.93 MEN1 (0.54) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2943824 0.85 KMT2A (0.61) KMT2AMEN1MAPTCASP3TRPV1
SCHEMBL6134434 0.81 ALDH1A1 (0.49) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL24880494 0.81 L3MBTL1 (0.57) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL17543032 0.80 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL15238296 0.80 ALDH1A1 (0.57) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3795448 0.79 LGMN (0.54) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2941901 0.79 HTT (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2951762 0.79 HPGD (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 EP disclosed
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO disclosed