SCHEMBL8886897

SCHEMBL8886897

COc1ccc(CC2=C(C(=O)O)N3C(=O)C(=Cc4cn5c(n4)SCCC5)[C@H]3S2)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KCNA5 P22460 2/20 0.31

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
SCHEMBL8887806 0.95 TSHR (0.36) TSHRMAPTSMN1; SMN2HSD17B10MEN1
SCHEMBL7203141 0.85 MEN1 (0.31) MEN1KMT2A
SCHEMBL8888122 0.83 MEN1 (0.30) MEN1KMT2A
SCHEMBL8152077 0.77 TSHR (0.34) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL10467409 0.77 MAPT (0.36) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL8887804 0.72
SCHEMBL8906304 0.71 TSHR (0.36) TSHRKDM4EALDH1A1MAPTHPGD
SCHEMBL7177783 0.71
SCHEMBL8906296 0.69 ALDH1A1 (0.35) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8845990 0.66 ALDH1A1 (0.38) ALDH1A1HPGD

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-5602250-A ANTIBIOTICS, BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-02-11 US disclosed