SCHEMBL7811503

SCHEMBL7811503

O=C(O)CCOc1cccc(C2CCN(C(=O)c3ccc(Br)cc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.48
PARP14 Q460N5 3/20 0.48
HSD11B1 P28845 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPC1 O15118 2/20 0.43

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
SCHEMBL7811526 0.91 PARP10 (0.53) PARP10PARP14HSD11B1MAPTALDH1A1
SCHEMBL7809992 0.87 ALDH1A1 (0.52) PARP10HSD11B1L3MBTL1MAPTALDH1A1
SCHEMBL7811616 0.87 NPC1 (0.52) PARP10PARP14HSD11B1NPC1HPGD
SCHEMBL7810089 0.82 MAPT (0.53) PARP10PARP14MAPTNPC1DRD2
SCHEMBL7811596 0.82 NPC1 (0.51) PARP10PARP14HSD11B1NPC1LMNA
SCHEMBL7817613 0.80 CCR5 (0.51) MAPTALDH1A1NPC1KMT2ATP53
SCHEMBL7810100 0.79 BCL9 (0.56) PARP10PARP14HSD11B1CA12CA1
SCHEMBL7804406 0.79 S1PR1 (0.57) PARP10PARP14HSD11B1MAPTCA12
SCHEMBL7811675 0.79 KMT2A (0.58) HSD11B1L3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL7811446 0.78 PARP10 (0.48) PARP10PARP14ALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607536-B1 Arylamide derivatives SS PHARMACEUTICAL CO (JP) 2001-01-24 EP disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed