SCHEMBL6823075

SCHEMBL6823075

CC(C)(C)OC(=O)N(CO)C(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TDP1 Q9NUW8 1/20 0.31
BACE1 P56817 1/20 0.30
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30

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
SCHEMBL19457048 0.79 CA14 (0.36) HDAC6HDAC1HDAC2CA14BACE1
SCHEMBL18494386 0.79 HDAC6 (0.33) HDAC6HDAC1HDAC2
SCHEMBL12258766 0.78 CA14 (0.38) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL19390307 0.78 HDAC6 (0.36) HDAC6HDAC1HDAC2CA14TDP1
SCHEMBL2392552 0.74 CA14 (0.30) CA14
SCHEMBL2392557 0.74 CA14 (0.30) CA14
SCHEMBL8256157 0.73
SCHEMBL904283 0.73 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14CA1
SCHEMBL6285390 0.73 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14
SCHEMBL22388221 0.73 HDAC6 (0.33) HDAC6HDAC1HDAC2CA14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140356785-A1 PHOTORESISTS COMPRISING CARBAMATE COMPONENT U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2014-12-04 US disclosed
EP-0876388-B1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LAB (US) 2004-02-18 EP disclosed
US-6274715-B1 SEMISYNTHETIC MACROLIDES, USEFUL IN BACTERIAL INFECTIONS TREATMENT AND PREVENTION, HAS LESS POTENTIAL FOR DEVELOPING RESISTANCE, IMPROVED OR MODIFIED PROFILES OF DESIRED GRAM-NEGATIVE ACTIVITY ABBOTT LABORATORIES 2001-08-14 US disclosed
EP-0961776-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES Abbott Laboratories (US) 1999-12-08 EP disclosed
WO-1998030574-A1 TRICYCLIC ERYTHROMYCIN DERIVATIVES ABBOTT LABORATORIES (US) 1998-07-16 WO disclosed