SCHEMBL9852800

SCHEMBL9852800

CNC([C]=O)COCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CA1 P00915 4/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CTSS P25774 3/20 0.43
CTSL P07711 2/20 0.43
CTSK P43235 1/20 0.43
TACR1 P25103 3/20 0.42
PPARA Q07869 1/20 0.42
SLC1A1 P43005 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSB P07858 1/20 0.40
FOLH1 Q04609 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9751568 1.00 TSHR (0.45) TSHRCA1CA2CA7CA9
SCHEMBL75850 0.83 CTSS (0.51) TSHRCA1CA2CA7CA9
SCHEMBL1086155 0.77 TAAR1 (0.53) TSHRKMT2A
SCHEMBL6852331 0.77 TAAR1 (0.53) TSHRKMT2A
SCHEMBL1310109 0.77 TAAR1 (0.53) TSHRKMT2A
SCHEMBL14422854 0.77 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL8438333 0.76 PPARA (0.63) CTSSCTSLCTSKPPARACTSB
SCHEMBL27410415 0.76 GHSR (0.53)
SCHEMBL21444695 0.75 TAAR1 (0.57) TSHRCA1CA2CA7CA9
SCHEMBL25666197 0.75 TAAR1 (0.57) TSHRCA1CA2CA7CA9

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
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed