SCHEMBL9504787

SCHEMBL9504787

CC(C)(C)N(O)C(=O)c1ccc(CCCCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MLYCD O95822 1/20 0.46
DPP4 P27487 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL9506078 0.82 ALOX5 (0.63) ALOX5HDAC1HDAC8RCE1MLYCD
SCHEMBL3280418 0.81 POLB (0.55) POLBMEN1KMT2AMAPT
SCHEMBL9507001 0.81 ALOX5 (0.47) ALOX5POLBKMT2A
SCHEMBL27671409 0.80 BID (0.46) ALOX5HDAC1POLBMAPTRXFP1
SCHEMBL11262719 0.79 POLB (0.53) POLBMEN1KMT2AMAPT
SCHEMBL9504831 0.79 ALOX5 (0.51) ALOX5HDAC1HDAC8RCE1THRA
SCHEMBL3278222 0.79 POLB (0.41) HDAC1MLYCDPOLB
SCHEMBL9506247 0.78 KDM4E (0.55) ALOX5HDAC1HDAC8RCE1DPP4
SCHEMBL9504638 0.78 ALOX5 (0.64) ALOX5HDAC1HDAC8RCE1MEN1
SCHEMBL9504847 0.77 ALOX5 (0.55) ALOX5HDAC1RCE1THRATHRB

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 6 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 claimed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US claimed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP claimed
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP 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