SCHEMBL11221858

SCHEMBL11221858

CC(C)(C)OC(=O)NC(C(=O)NC1C(=O)N2C(C(=O)O)=C(Cl)CS[C@@H]12)c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.54
▸ MAPT P10636 6/20 0.54
▸ HSD17B10 Q99714 6/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ SLC15A2 Q16348 3/20 0.54
▸ CTDSP1 Q9GZU7 3/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ NR1I2 O75469 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ ADORA3 P0DMS8 1/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ MAPK1 P28482 2/20 0.44
▸ BLM P54132 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ADRA1A P35348 1/20 0.44

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
SCHEMBL11221854 1.00 ALDH1A1 (0.54) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL8943527 0.88 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11866858 0.86 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11866850 0.86 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11616226 0.86 MAPT (0.63) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11204719 0.84 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL10634187 0.83 NR1I2 (0.41) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL10840734 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL10840729 0.83 ALDH1A1 (0.42) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11579631 0.82 MAPT (0.57) ALDH1A1MAPTHSD17B10KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338436-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 — — US disclosed
US-4338439-A BACTERICIDAL ANTIBIOTICS ELI LILLY AND COMPANY (US) 1982-07-06 — — US disclosed
US-4319028-A 7-(2-(Substituted benzoyl)amino)acetamido)cephalosporins ELI LILLY AND COMPANY (US) 1982-03-09 — — US disclosed
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