SCHEMBL11309931

SCHEMBL11309931

O=C(O)C1=C(Cl)CS[C@@H]2C(NC(=O)C(C(=O)O)c3ccc(Cl)cc3)C(=O)N12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.67
▸ HSD17B10 Q99714 7/20 0.67
▸ MAPT P10636 6/20 0.67
▸ KMT2A Q03164 6/20 0.67
▸ KDM4E B2RXH2 4/20 0.67
▸ MEN1 O00255 4/20 0.67
▸ CYP3A4 P08684 4/20 0.67
▸ HPGD P15428 3/20 0.67
▸ TDP1 Q9NUW8 3/20 0.67
▸ SLC15A2 Q16348 3/20 0.67
▸ CYP2C9 P11712 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ NR1I2 O75469 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ CTDSP1 Q9GZU7 1/20 0.67
▸ HIF1A Q16665 1/20 0.67
▸ ESR1 P03372 1/20 0.52
▸ SLC22A6 Q4U2R8 1/20 0.52
▸ SLC22A8 Q8TCC7 1/20 0.52
▸ CYP2C19 P33261 2/20 0.51

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
SCHEMBL11309932 1.00 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11308682 0.93 ALDH1A1 (0.66) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11308679 0.93 ALDH1A1 (0.66) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11302496 0.93 ALDH1A1 (0.77) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11308012 0.90 KMT2A (0.65) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11308009 0.90 KMT2A (0.65) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11310906 0.87 ALDH1A1 (0.63) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11310901 0.87 ALDH1A1 (0.63) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11313608 0.85 ALDH1A1 (0.67) ALDH1A1HSD17B10MAPTKMT2AKDM4E
SCHEMBL11313606 0.85 ALDH1A1 (0.67) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4281116-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1981-07-28 — — US disclosed
US-4260745-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1981-04-07 — — US disclosed
US-4252950-A ANTIBIOTICS, BACTERICIDES, FUNGICIDES ELI LILLY AND COMPANY (US) 1981-02-24 — — US disclosed
US-4208515-A 3-Halo cephalosporins ELI LILLY AND COMPANY (US) 1980-06-17 — — US disclosed
US-4064343-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-20 — — US disclosed
US-3962227-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1976-06-08 — — US disclosed
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