SCHEMBL6694932

SCHEMBL6694932

CCCCC(=O)Nc1ccccc1C

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.73
HDAC4 P56524 2/20 0.73
HDAC1 Q13547 2/20 0.73
HDAC7 Q8WUI4 2/20 0.73
HDAC2 Q92769 2/20 0.73
HDAC10 Q969S8 2/20 0.73
HDAC11 Q96DB2 2/20 0.73
HDAC8 Q9BY41 2/20 0.73
HDAC6 Q9UBN7 2/20 0.73
HDAC9 Q9UKV0 2/20 0.73
HDAC5 Q9UQL6 2/20 0.73
CETP P11597 2/20 0.67
P2RX7 Q99572 1/20 0.63
TSHR P16473 1/20 0.63
HPGD P15428 2/20 0.60
POLB P06746 1/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ALOX12 P18054 1/20 0.60
RAB9A P51151 3/20 0.59

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
SCHEMBL30738431 1.00 HDAC3 (0.73) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11446154 0.95 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5968938 0.93 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL26624031 0.93 HDAC3 (0.74) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6658490 0.89 MAPK1 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL27291375 0.89 HDAC3 (0.84) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9770492 0.89 HDAC3 (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7562125 0.85 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7822083 0.85 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11363929 0.84 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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
CN-101550109-A Design and synthesis of novel tubulin polymerization inhibitors: benzoylphenylurea (bpu) sulfur analogs CHAMPIONS BIOTECHNOLOGY INC (US) 2009-10-07 CN disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed