SCHEMBL11577111

SCHEMBL11577111

CC(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(O)CS[C@H]12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ HSD17B10 Q99714 6/20 0.52
▸ MAPT P10636 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ TDP1 Q9NUW8 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ HPGD P15428 3/20 0.52
▸ SLC15A2 Q16348 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ BLM P54132 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ PTGS1 P23219 1/20 0.51
▸ KDM4E B2RXH2 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NR1I2 O75469 2/20 0.50
▸ CTDSP1 Q9GZU7 2/20 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
SCHEMBL11577116 1.00 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11672551 0.89 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11672553 0.89 ALDH1A1 (0.62) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11700638 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11700631 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11868361 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11868358 0.89 ALDH1A1 (0.54) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11712300 0.88 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11712290 0.88 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTKMT2ATDP1
SCHEMBL11380184 0.88 ALDH1A1 (0.51) ALDH1A1HSD17B10MAPTKMT2ATDP1

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-4115643-A Process for 3-chloro cephalosporins ELI LILLY AND COMPANY (US) 1978-09-19 — — US disclosed
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