SCHEMBL4773573

SCHEMBL4773573

CCC(=O)NCCCCCOCCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.57
HPGD P15428 3/20 0.56
TRPV1 Q8NER1 1/20 0.55
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL31035975 0.87 RECQL (0.55) RECQLHPGDTRPV1KDM4ELMNA
SCHEMBL8670598 0.86 L3MBTL1 (0.55) HPGDTRPV1KDM4ELMNAL3MBTL1
SCHEMBL31035861 0.85 TRPV1 (0.73) RECQLHPGDTRPV1LMNAL3MBTL1
SCHEMBL31035980 0.85 TRPV1 (0.73) RECQLHPGDTRPV1LMNAL3MBTL1
SCHEMBL31036003 0.85 TRPV1 (0.73) RECQLHPGDTRPV1LMNAL3MBTL1
SCHEMBL3919664 0.84 TRPV1 (0.71) RECQLHPGDTRPV1LMNAL3MBTL1
SCHEMBL7598872 0.82 L3MBTL1 (0.74) RECQLHPGDTRPV1L3MBTL1ALDH1A1
SCHEMBL21480863 0.80 RECQL (0.88) RECQLHPGDKDM4EL3MBTL1KMT2A
SCHEMBL154367 0.78 MTNR1A (0.73) HPGDL3MBTL1ALDH1A1MTNR1AMTNR1B
Benzene SCHEMBL29176463 0.78 MTNR1A (0.73) HPGDL3MBTL1ALDH1A1MTNR1AMTNR1B

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
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP claimed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO claimed