SCHEMBL11367165

SCHEMBL11367165

CC(C(=O)SC(c1ccccc1)c1ccccc1)c1cc(O)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ SLC6A3 Q01959 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ PTGS1 P23219 3/20 0.35
▸ MAPT P10636 2/20 0.33
▸ CXCR1 P25024 2/20 0.33
▸ CXCR2 P25025 2/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33

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
SCHEMBL11359711 0.75 TSHR (0.34) SMN1; SMN2SLC6A3ALDH1A1LMNAMEN1
SCHEMBL12809631 0.74 TYR (0.43) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL25042522 0.69 DPP4 (0.38) ALDH1A1LMNAKDM4EHIF1A
SCHEMBL2400000 0.66 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL30843547 0.64 AKR1C3 (0.36) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL20231997 0.64 AKR1C3 (0.36) SMN1; SMN2ALDH1A1LMNAMEN1KMT2A
SCHEMBL3056114 0.64 SLC6A3 (0.47) SLC6A3ALDH1A1LMNAMEN1KMT2A
SCHEMBL4054068 0.63 CYP2D6 (0.48) SLC6A3LMNATSHRCYP3A4MAPK1
SCHEMBL18029846 0.63 MEN1 (0.41) SLC6A3LMNAMEN1KMT2ATSHR
SCHEMBL8415522 0.61 SLC6A3 (0.45) SLC6A3TSHRPTGS1CYP3A4

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-4247548-A 7α-Methoxycephalosporin derivatives and their pharmaceutical compositions having antibacterial activity SANKYO COMPANY LIMITED (JP) 1981-01-27 — — US disclosed
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