SCHEMBL7271891

SCHEMBL7271891

Cc1cccc(S(=O)(=O)O)c1.N[C@@H](Cc1c[nH]cn1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
TACR1 P25103 2/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 3/20 0.40
KDM4E B2RXH2 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NPSR1 Q6W5P4 1/20 0.37
CA1 P00915 1/20 0.35
LMNA P02545 1/20 0.35
SLC1A5 Q15758 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CCR5 P51681 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34
CASR P41180 1/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL7280864 0.90 LMNA (0.43) TACR1MAPTTDP1KDM4ECA1
SCHEMBL7353357 0.90 LMNA (0.43) TACR1MAPTTDP1KDM4ECA1
SCHEMBL729057 0.85 LTA4H (0.44) TACR1MAPTALDH1A1LTA4HLAP3
SCHEMBL713212 0.85 LTA4H (0.44) TACR1MAPTALDH1A1LTA4HLAP3
P-Toluenesulfonamide SCHEMBL8729542 0.85 LMNA (0.43) TACR1MAPTCA1LMNA
Hydrochloric Acid SCHEMBL9515675 0.84 LTA4H (0.43) TACR1MAPTALDH1A1LTA4HLAP3
Hydrochloric Acid SCHEMBL9515682 0.84 LTA4H (0.43) TACR1MAPTALDH1A1LTA4HLAP3
Hydrochloric Acid SCHEMBL7273689 0.84 LTA4H (0.43) TACR1MAPTALDH1A1LTA4HLAP3
Hydrochloric Acid SCHEMBL7273682 0.84 LTA4H (0.43) TACR1MAPTALDH1A1LTA4HLAP3
Histidine SCHEMBL27960814 0.76 SLC7A5 (0.43) POLBMAPTKDM4ELMNACASR

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
US-4636567-A CNS DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1987-01-13 US disclosed
US-4610821-A CENTRAL NERVOUS SYSTEM, THYROTROPIN RELEASING HORMONE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-09-09 US disclosed
US-4564609-A NERVOUS SYSTEM DISORDERS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-01-14 US disclosed
EP-0123444-A1 4-Substituted-2-azetidinone compound, process of producing the compounds, and medicaments containing the compounds YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1984-10-31 EP disclosed