SCHEMBL8921038

SCHEMBL8921038

C[C@H](CCNCc1ccccc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
MAPK1 P28482 1/20 0.42
MITF O75030 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
NCOR2 Q9Y618 2/20 0.40
ATM Q13315 2/20 0.40
MAOA P21397 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL82782 0.86 NAMPT (0.46) L3MBTL1KMT2AALDH1A1KDM4EHTT
SCHEMBL3587130 0.83 S1PR1 (0.45) KMT2AMEN1ALDH1A1HDAC1
SCHEMBL1317427 0.77 ADRA2B (0.51) L3MBTL1KMT2AMEN1HTTMAOA
SCHEMBL80781 0.76 CYP2D6 (0.34)
SCHEMBL271176 0.75 ATM (0.51) ALDH1A1ATM
SCHEMBL17094039 0.75 KMT2A (0.36) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL17094038 0.75 KMT2A (0.36) KMT2AMEN1TDP1ALDH1A1KDM4E
SCHEMBL22558186 0.74 KMT2A (0.58) L3MBTL1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL28848444 0.74 MMP1 (0.42) L3MBTL1KMT2AMEN1ALDH1A1HTT
SCHEMBL4849285 0.74 KMT2A (0.51) L3MBTL1KMT2AMEN1TDP1ALDH1A1

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-5637613-A ANTITUMOR AGENT; IMMUNOSUPPRESSANTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-06-10 US disclosed