SCHEMBL11244833

SCHEMBL11244833

O=C(NN1CCCCC1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
EPHX2 P34913 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 4/20 0.45
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
EPHX1 P07099 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
LIPE Q05469 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
SCHEMBL4592225 0.93 EPHX2 (0.51) HDAC8HDAC6EPHX2MEN1KMT2A
SCHEMBL7926 0.91 EPHX2 (0.49) HDAC8HDAC6EPHX2MEN1KMT2A
Hydrochloric Acid SCHEMBL28539557 0.89 EPHX2 (0.48) HDAC8HDAC6EPHX2MEN1KMT2A
SCHEMBL9349123 0.86 EPHX2 (0.47) HDAC8HDAC6EPHX2MEN1KMT2A
SCHEMBL7791787 0.84 PADI1 (0.46) HDAC8HDAC6EPHX2MEN1KMT2A
SCHEMBL28991011 0.84 HDAC8 (0.45) HDAC8HDAC6EPHX2MEN1KMT2A
SCHEMBL28991008 0.84 HDAC8 (0.45) HDAC8HDAC6EPHX2MEN1KMT2A
SCHEMBL13779902 0.82 EPHX2 (0.50) EPHX2MEN1KMT2AALDH1A1TSHR
SCHEMBL14084928 0.82 EPHX2 (0.47) EPHX2MEN1KMT2AALDH1A1TSHR
SCHEMBL9186695 0.81 EPHX2 (0.47) HDAC8HDAC6EPHX2MEN1KMT2A

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-4348401-A ANTIHISTAMINIC, ANTIEDEMIC, ANTIPHLOGISTIC BOEHRINGER MANNHEIM GMBH (DE) 1982-09-07 US disclosed