SCHEMBL28061409

SCHEMBL28061409

Cc1cc(C)cc(N2CCC(C(=O)O)C2=O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
PTPN1 P18031 1/20 0.43
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
NOTUM Q6P988 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HTT P42858 2/20 0.38
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD11B1 P28845 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL892950 0.81 PTPN1 (0.43) RECQLPTPN1ROCK2ROCK1FFAR4
SCHEMBL893097 0.80 PTPN1 (0.46) PTPN1NPSR1ALDH1A1LMNATSHR
SCHEMBL308869 0.78 PTPN1 (0.59) PTPN1ROCK2ROCK1NOTUMKMT2A
SCHEMBL11747518 0.77 FFAR4 (0.42) PTPN1FFAR4NOTUMKMT2A
SCHEMBL19339952 0.76 NPSR1 (0.43) RECQLNPSR1KMT2AHSP90AA1HTT
SCHEMBL892655 0.75 PTPN1 (0.53) RECQLPTPN1KMT2AHTTUSP30
SCHEMBL25328929 0.75 NPSR1 (0.42) RECQLROCK2NPSR1KMT2AHSP90AA1
SCHEMBL1137236 0.74 PTPN1 (0.52) RECQLPTPN1ROCK2NOTUMKMT2A
SCHEMBL892180 0.74 PTPN1 (0.52) RECQLPTPN1ROCK2ROCK1NOTUM
SCHEMBL6936690 0.74 PTPN1 (0.52) PTPN1ROCK2ROCK1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803252-B Be used for the treatment of indole amides derivative and the related compound thereof of neurodegenerative disorders K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2016-05-25 CN disclosed