SCHEMBL7811446

SCHEMBL7811446

O=C(O)CCOc1cccc(C2(O)CCN(C(=O)c3ccc(Br)cc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
PKLR P30613 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
NPC1 O15118 1/20 0.42
PARP14 Q460N5 1/20 0.42
KMT2A Q03164 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL7810124 0.92 PARP10 (0.54) PARP10CA12CA1CA2CA7
SCHEMBL7804410 0.87 CA12 (0.57) PARP10CA12CA1CA2CA7
SCHEMBL7804418 0.87 PARP10 (0.52) PARP10CA12CA1CA2CA7
SCHEMBL7804501 0.82 PARP10 (0.52) PARP10CA12CA1CA2CA7
SCHEMBL7810089 0.81 MAPT (0.53) PARP10LMNADRD2DRD3NPC1
SCHEMBL7813479 0.80 CA12 (0.49) PARP10CA12CA1CA2CA7
SCHEMBL7813555 0.80 AVPR1A (0.53) PARP10LMNAALDH1A1KMT2A
SCHEMBL7817164 0.79 KCNA5 (0.52) PARP10CA12CA1CA2CA7
SCHEMBL7813964 0.79 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL7811503 0.78 PARP10 (0.48) PARP10CA12CA1CA2CA7

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