SCHEMBL11955348

SCHEMBL11955348

CCC(=O)c1ccc(Oc2ccc(OC)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
HDAC3 O15379 3/20 0.61
HDAC4 P56524 3/20 0.61
HDAC1 Q13547 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
GSK3B P49841 1/20 0.61
PARP10 Q53GL7 1/20 0.61
NR1I2 O75469 1/20 0.57
MAPT P10636 1/20 0.56
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
PDE4B Q07343 1/20 0.54
CA1 P00915 1/20 0.53

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
SCHEMBL459470 0.94 KMT2A (0.70) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL11052292 0.92 MAPT (0.58) KMT2APARP10MAPTNPC1RAB9A
Butane SCHEMBL10982980 0.90 KMT2A (0.66) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL7859470 0.89 KMT2A (0.64) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL9607439 0.85 KMT2A (0.74) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL1269735 0.85 ERCC5 (0.64) HDAC3PARP10MAPTNPC1RAB9A
SCHEMBL6061938 0.85 PARP10 (0.58) KMT2APARP10MAPTNPC1RAB9A
SCHEMBL7139570 0.84 KMT2A (0.59) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL2773360 0.83 GSK3B (0.89) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6142684 0.83 SRD5A2 (0.53) KMT2AHDAC3HDAC4HDAC1HDAC7

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-20120197407-A1 HIGHLY LUBRICATING SLIDING MEMBER AND ARTIFICAL JOINT USING SAME THE UNIVERSITY OF TOKYO (JP) 2012-08-02 US disclosed
US-20120197407-A1 HIGHLY LUBRICATING SLIDING MEMBER AND ARTIFICAL JOINT USING SAME THE UNIVERSITY OF TOKYO (JP) 2012-08-02 US disclosed