SCHEMBL9506661

SCHEMBL9506661

C=CCN(O)C(=O)c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
ALOX5 P09917 6/20 0.47
HDAC8 Q9BY41 1/20 0.45
KDM4A O75164 1/20 0.43
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
THRA P10827 4/20 0.43
THRB P10828 4/20 0.43
DPP4 P27487 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL9543520 0.84 TSHR (0.51) ALOX5MAPTMEN1KMT2A
SCHEMBL9504638 0.81 ALOX5 (0.64) HDAC1ALOX5HDAC8MEN1KMT2A
SCHEMBL9504831 0.80 ALOX5 (0.51) HDAC1ALOX5HDAC8THRATHRB
SCHEMBL9836112 0.79 ALOX5 (0.67) HDAC1ALOX5HDAC8KDM4AKDM5A
SCHEMBL9504847 0.78 ALOX5 (0.55) HDAC1ALOX5THRATHRBRCE1
SCHEMBL9506078 0.76 ALOX5 (0.63) HDAC1ALOX5HDAC8THRATHRB
SCHEMBL9506247 0.75 KDM4E (0.55) HDAC1ALOX5HDAC8DPP4MAPT
SCHEMBL28312776 0.74 ALOX5 (0.65) HDAC1ALOX5HDAC8KDM4AKDM5A
SCHEMBL9508914 0.74 THRA (0.56) ALOX5THRATHRBMAPTMEN1
SCHEMBL9504721 0.74 THRA (0.63) ALOX5THRATHRBMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
CN-85104470-A The method for preparing arythydroxamtes 1986-10-01 CN disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed