SCHEMBL7810031

SCHEMBL7810031

CC(C)C(=O)OOc1cccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.47
NAMPT P43490 1/20 0.46
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HPGD P15428 1/20 0.44
HSP90AA1 P07900 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL7811730 0.90 LMNA (0.50) MAPTALDH1A1NAMPTHTTTSHR
SCHEMBL7813660 0.90 MAPT (0.56) MAPTALDH1A1NAMPTHTTTSHR
SCHEMBL7814074 0.89 SMN1; SMN2 (0.53) MAPTALDH1A1NAMPTHTTTSHR
SCHEMBL7814066 0.89 ALDH1A1 (0.54) MAPTALDH1A1NAMPTHTTTSHR
SCHEMBL7811456 0.89 MAPT (0.49) MAPTALDH1A1NAMPTHTTTSHR
SCHEMBL7813608 0.89 MAPT (0.57) MAPTALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL7817420 0.88 ALDH1A1 (0.55) MAPTALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL7813961 0.86 KMT2A (0.51) MAPTALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL7813616 0.84 ALDH1A1 (0.46) MAPTALDH1A1NAMPTHTTTSHR
SCHEMBL9011034 0.82 NPSR1 (0.44) MAPTALDH1A1HTTTSHRSMN1; SMN2

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