SCHEMBL7810099

SCHEMBL7810099

CC(C)(Oc1ccc(C2CCN(C(=O)c3cccnc3)CC2)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
HTT P42858 1/20 0.52
EPHX2 P34913 1/20 0.52
GAA P10253 1/20 0.51
CCR5 P51681 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
HSD11B1 P28845 1/20 0.47
HPGDS O60760 1/20 0.46
RIPK1 Q13546 1/20 0.46
NAMPT P43490 2/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK1 P28482 1/20 0.46
TLR9 Q9NR96 1/20 0.45
TLR8 Q9NR97 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7814105 0.89 BCL9 (0.54) ALDH1A1HTTGAACCR5TDP1
SCHEMBL7814130 0.88 LMNA (0.54) ALDH1A1EPHX2GAAHSD11B1NAMPT
SCHEMBL7810069 0.88 HSD11B1 (0.59) ALDH1A1HSD11B1NAMPTRAB9AKMT2A
SCHEMBL7813449 0.83 ALDH1A1 (0.60) ALDH1A1HTTGAATDP1NAMPT
SCHEMBL27299337 0.82 CCR5 (0.68) ALDH1A1HTTGAACCR5HPGDS
SCHEMBL7804429 0.81 HSD11B1 (0.66) ALDH1A1GAAHSD11B1LMNA
SCHEMBL7810206 0.81 HSD11B1 (0.54) ALDH1A1GAAHSD11B1KMT2ALMNA
SCHEMBL7811341 0.81 PARP10 (0.64) ALDH1A1GAAHSD11B1RAB9AKMT2A
SCHEMBL7814102 0.81 HSD11B1 (0.53) ALDH1A1GAAHSD11B1NAMPTMAPK1
SCHEMBL7813621 0.81 HSD11B1 (0.53) ALDH1A1HTTGAAHSD11B1KMT2A

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