SCHEMBL4531336

SCHEMBL4531336

O=C(CCCCCCCCCS)NO

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 12/20 0.75
HDAC1 Q13547 11/20 0.75
HDAC6 Q9UBN7 8/20 0.75
HDAC3 O15379 7/20 0.75
HDAC2 Q92769 7/20 0.75
HDAC5 Q9UQL6 6/20 0.75
HSP90AA1 P07900 1/20 0.60
HDAC11 Q96DB2 7/20 0.52
HDAC10 Q969S8 6/20 0.52
HDAC4 P56524 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC9 Q9UKV0 5/20 0.50
ENPEP Q07075 1/20 0.50
FOLH1 Q04609 1/20 0.50
NCOR2 Q9Y618 2/20 0.48
ALOX5 P09917 1/20 0.47
KDM4E B2RXH2 1/20 0.47
BRD4 O60885 1/20 0.47
NCOR1 O75376 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL4527969 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4529012 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4526874 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4536707 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4529056 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4533728 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4528411 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4530630 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4535833 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2
SCHEMBL4520257 1.00 HDAC8 (0.75) HDAC8HDAC1HDAC6HDAC3HDAC2

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-20090123516-A1 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS-THERAPEUTIC SAMS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2009-05-14 US disclosed
WO-2007019478-A2 DRUG DELIVERY FROM IMPLANTS USING SELF-ASSEMBLED MONOLAYERS - THERAPEUTIC SAMS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2007-02-15 WO disclosed