SCHEMBL11035690

SCHEMBL11035690

CCOC(=O)CCNCCc1ccc2c(c1)OCO2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CYP3A4 P08684 2/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL25987654 0.89 POLB (0.60) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL3186208 0.87 CYP3A4 (0.58) MEN1KMT2AALDH1A1KDM4EHDAC3
SCHEMBL6486455 0.83 ALDH1A1 (0.58) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL8692757 0.82 CYP3A4 (0.53) MEN1KMT2AALDH1A1KDM4EHDAC3
SCHEMBL6136514 0.81 NPC1 (0.53) POLBMEN1KMT2AALDH1A1USP2
SCHEMBL28495982 0.81 HTT (0.60) MEN1KMT2AALDH1A1CYP3A4USP2
SCHEMBL30496700 0.80 POLB (0.66) POLBMEN1KMT2AALDH1A1KDM4E
SCHEMBL10956809 0.79 NPC1 (0.55) POLBMEN1KMT2AALDH1A1CYP3A4
SCHEMBL7986608 0.79 CYP3A4 (0.61) MEN1KMT2AALDH1A1KDM4ECYP3A4
SCHEMBL23389370 0.79 POLB (0.58) POLBMEN1KMT2AALDH1A1KDM4E

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
US-4446141-A Hypotensive piperidine derivatives KYOWA HAKKO KOGYO CO. (JP) 1984-05-01 US disclosed
EP-0018417-A1 Novel piperidine derivatives and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD (JP) 1980-11-12 EP disclosed