SCHEMBL11052540

SCHEMBL11052540

CCN1CCN(C(=O)NC(C(=O)N[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@]3(NC=O)C(=O)O)c2ccc3c(c2)OCO3)C(=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40
▸ SLC22A11 Q9NSA0 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CCKBR P32239 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F2 P00734 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ HSD17B2 P37059 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30

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
SCHEMBL10929620 0.93 TDP1 (0.41) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10834184 0.89 MAPT (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493262 0.89 MAPT (0.42) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11156752 0.88 MAPT (0.49) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10492989 0.88 MAPT (0.49) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493067 0.88 MEN1 (0.48) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10493259 0.87 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL10931401 0.81 KDM4E (0.40) MAPTSLC22A6SLC22A8TSHRHSD17B10
SCHEMBL10493032 0.80 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11157011 0.80 MAPT (0.39) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0131611-A1 $g(b)-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1985-01-23 — — EP claimed
WO-1984002911-A1 beta-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1984-08-02 — — WO claimed
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