SCHEMBL11039640

SCHEMBL11039640

C=CCN(CC=C)CCOc1ccccc1Oc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.62
KMT2A Q03164 5/20 0.62
MEN1 O00255 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ALDH1A1 P00352 8/20 0.60
TDP1 Q9NUW8 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ATM Q13315 2/20 0.60
HPGD P15428 1/20 0.56
BCHE P06276 5/20 0.41
LTA4H P09960 1/20 0.41
POLB P06746 1/20 0.40
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD3 P35462 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38

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
SCHEMBL11046744 0.93 KDM4E (0.55) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7055960 0.77 DRD1 (0.68) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL5239038 0.75 TSHR (0.49) KDM4EKMT2AALDH1A1L3MBTL1HPGD
SCHEMBL11027702 0.73 HRH1 (0.43) KDM4EKMT2AALDH1A1L3MBTL1LTA4H
SCHEMBL7055956 0.73 KDM4E (0.67) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6244532 0.73 MMP2 (0.46) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL10988212 0.72 ALDH1A1 (0.60) KDM4EALDH1A1TDP1BCHELTA4H
SCHEMBL11498049 0.71 TSPO (0.45) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11727531 0.70 KCNA3 (0.48) KDM4EALDH1A1TDP1L3MBTL1LTA4H
SCHEMBL28859173 0.70 KCNA3 (0.48) KDM4EALDH1A1TDP1L3MBTL1LTA4H

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
US-4562211-A ANTIDEPRESSANTS MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) 1985-12-31 US disclosed