SCHEMBL11854831

SCHEMBL11854831

NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(C(=O)N3CCCCC3)CS[C@H]12)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.68
▸ ALDH1A1 P00352 7/20 0.68
▸ HSD17B10 Q99714 7/20 0.68
▸ KDM4E B2RXH2 6/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ MEN1 O00255 5/20 0.68
▸ CYP3A4 P08684 4/20 0.68
▸ HPGD P15428 3/20 0.68
▸ TDP1 Q9NUW8 3/20 0.68
▸ SLC15A2 Q16348 3/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ BLM P54132 2/20 0.68
▸ NR1I2 O75469 2/20 0.68
▸ ADORA3 P0DMS8 2/20 0.68
▸ CYP2C19 P33261 2/20 0.68
▸ CTDSP1 Q9GZU7 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ HTR2B P41595 1/20 0.68

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
SCHEMBL11854845 1.00 MAPT (0.68) MAPTALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL11860389 0.90 MAPT (0.79) MAPTALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL11860386 0.90 MAPT (0.79) MAPTALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL25883408 0.84 MAPT (0.79) MAPTALDH1A1HSD17B10KDM4EKMT2A
SCHEMBL11864288 0.84 ALDH1A1 (0.75) MAPTALDH1A1HSD17B10KDM4EKMT2A
Cephalexin Anhydrous SCHEMBL40988 0.82 HSD17B10 (0.98) MAPTALDH1A1HSD17B10KDM4EKMT2A
Cephalexin Anhydrous SCHEMBL5049268 0.82 HSD17B10 (0.98) MAPTALDH1A1HSD17B10KDM4EKMT2A
Cephalexin Anhydrous SCHEMBL5489216 0.82 HSD17B10 (0.98) MAPTALDH1A1HSD17B10KDM4EKMT2A
Cephalexin Anhydrous SCHEMBL5049273 0.82 HSD17B10 (0.98) MAPTALDH1A1HSD17B10KDM4EKMT2A
Cephalexin Anhydrous SCHEMBL27562810 0.82 HSD17B10 (0.98) MAPTALDH1A1HSD17B10KDM4EKMT2A

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-3953436-A 3,4-Dicarboxycephalosporins and derivatives ELI LILLY AND COMPANY (US) 1976-04-27 — — US disclosed
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