SCHEMBL8998380

SCHEMBL8998380

ClCCCOCc1ccccc1.[MgH2]

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
NAAA Q02083 3/20 0.43
ALDH1A1 P00352 1/20 0.41
IDO1 P14902 1/20 0.41
LTA4H P09960 1/20 0.41
TEAD3 Q99594 1/20 0.40
AGXT P21549 1/20 0.40
FAAH O00519 1/20 0.40

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
SCHEMBL1001167 0.98 TSHR (0.58) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL3488296 0.92 TSHR (0.56) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL10826161 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL6941525 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL3289641 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL10825883 0.90 L3MBTL1 (0.54) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL31018369 0.86 L3MBTL1 (0.51) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL31018373 0.85 L3MBTL1 (0.50) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL2473034 0.85 TSHR (0.64) TSHRTDP1L3MBTL1HRH4HRH3
SCHEMBL2640223 0.84 TSHR (0.70) TSHRTDP1L3MBTL1HRH4HRH3

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
US-5536737-A Compound having prolyl endopeptidase inhibitory activity and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 1996-07-16 US disclosed