SCHEMBL11308682

SCHEMBL11308682

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.66
▸ MAPT P10636 6/20 0.66
▸ HSD17B10 Q99714 6/20 0.66
▸ KMT2A Q03164 6/20 0.66
▸ KDM4E B2RXH2 4/20 0.66
▸ MEN1 O00255 4/20 0.66
▸ HPGD P15428 3/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ TDP1 Q9NUW8 3/20 0.66
▸ SLC15A2 Q16348 3/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ LMNA P02545 2/20 0.66
▸ NR1I2 O75469 1/20 0.66
▸ ADORA3 P0DMS8 1/20 0.66
▸ CTDSP1 Q9GZU7 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ ESR1 P03372 1/20 0.61
▸ SLC22A6 Q4U2R8 1/20 0.61
▸ SLC22A8 Q8TCC7 1/20 0.61
▸ DRD2 P14416 1/20 0.56

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
SCHEMBL11308679 1.00 ALDH1A1 (0.66) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11309931 0.93 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11309932 0.93 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11302496 0.92 ALDH1A1 (0.77) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11313608 0.88 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL11313606 0.88 ALDH1A1 (0.67) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL10705882 0.88 ALDH1A1 (0.85) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL33621 0.88 ALDH1A1 (0.85) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL10819107 0.88 ALDH1A1 (0.66) ALDH1A1MAPTHSD17B10KMT2AKDM4E
SCHEMBL10705888 0.88 ALDH1A1 (0.85) 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 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
Send feedback