SCHEMBL12977

SCHEMBL12977

Cc1cccc(C(=O)N2CCC(O)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
MGLL Q99685 2/20 0.64
HSD11B1 P28845 1/20 0.64
EPHX2 P34913 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.58
HTT P42858 1/20 0.58
GABRD O14764 1/20 0.57
GABRA1 P14867 1/20 0.57
GABRB1 P18505 1/20 0.57
GABRA5 P31644 1/20 0.57
GABRA3 P34903 1/20 0.57
GABRA2 P47869 1/20 0.57
GABRB2 P47870 1/20 0.57
GABRA4 P48169 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
LMNA P02545 1/20 0.56
UBE2M P61081 1/20 0.56
DCUN1D1 Q96GG9 1/20 0.56
HSP90AA1 P07900 1/20 0.55

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
SCHEMBL22735405 0.91 HTT (0.63) HPGDMGLLHSD11B1EPHX2L3MBTL1
SCHEMBL14220733 0.91 HTT (0.63) HPGDMGLLHSD11B1EPHX2L3MBTL1
SCHEMBL8054515 0.88 HPGD (0.69) HPGDMGLLHSD11B1EPHX2L3MBTL1
SCHEMBL7130857 0.87 HPGD (0.83) HPGDMGLLHSD11B1L3MBTL1HTT
SCHEMBL14238822 0.87 HPGD (0.83) HPGDMGLLHSD11B1L3MBTL1HTT
SCHEMBL23417312 0.86 HPGD (0.68) HPGDMGLLHSD11B1EPHX2L3MBTL1
SCHEMBL9633335 0.86 HPGD (0.68) HPGDMGLLHSD11B1EPHX2L3MBTL1
SCHEMBL14255587 0.85 MGLL (0.68) HPGDMGLLHSD11B1EPHX2L3MBTL1
SCHEMBL2667154 0.84 HPGD (0.64) HPGDMGLLHSD11B1EPHX2L3MBTL1
SCHEMBL12976 0.84 HPGD (0.64) HPGDMGLLHSD11B1EPHX2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed
EP-1905762-A1 PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-04-02 EP disclosed