SCHEMBL11732663

SCHEMBL11732663

O=C(OC(c1ccccc1)c1ccccc1)C1=C(O)CS[C@H]2C(NC(=O)C(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)C(=O)N12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ HSD17B10 Q99714 6/20 0.50
▸ MAPT P10636 5/20 0.50
▸ KMT2A Q03164 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ HPGD P15428 3/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ TDP1 Q9NUW8 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ SLC15A2 Q16348 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NR1I2 O75469 2/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ BLM P54132 1/20 0.50
▸ ADORA3 P0DMS8 1/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HTR2B P41595 1/20 0.50

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
SCHEMBL11079601 0.90 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11079599 0.90 ALDH1A1 (0.61) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11577111 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11577116 0.87 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11741249 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11736475 0.85 PLCG1 (0.60) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL9876995 0.85 HSD17B10 (0.48) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL9876998 0.85 HSD17B10 (0.48) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11077472 0.85 HSD17B10 (0.71) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11077469 0.85 HSD17B10 (0.71) ALDH1A1HSD17B10MAPTKMT2AKDM4E

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-4008230-A Process for preparing 3-hydroxy cephalosporins ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
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